May 2024 – Page 6 – Pu catalyst

Allantoin

Structural formula

Business number	02CD
Molecular formula	C4H6N4O3
Molecular weight	158.12
label	2,5-Dichloro-4-imidazolidinylurea, 1-ureidodiazapentane-2,4-dione, Glyoxylic (acid) diureide, (2,5-Dioxo-4-imidazolidinyl)urea, Glyoxylic diureide, Psoralon, Septalan, 5-Ureidohydantoin, Heterocyclic compounds

Numbering system

CAS number:97-59-6

MDL number:MFCD00005260

EINECS number:202-592-8

RTECS number:YT1600000

BRN number:102364

PubChem ID:None

Physical property data

1. Appearance: Monoclinic flake or prismatic crystal

2. Melting point (decomposition, ℃): 238

3. Solubility: can be dissolved in hot water, Hot ethanol and dilute sodium hydroxide solution, slightly soluble in water and ethanol (1g dissolved in 190ml water, 500ml ethanol), almost insoluble in butyl ether and chloroform.

4. Saturated aqueous solution pH: 5.5

Toxicological data

None yet

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 33.42

2. Molar volume (cm³/mol): 95.7

3. Isotonic specific volume (90.2K ): 288.5

4. Surface tension (dyne/cm): 82.6

5. Polarizability (10-24cm3): 13.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -2.2

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 24

6. Topological molecular polar surface area 113

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 225

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Odorless and tasteless. It is stable in dry air, but will be destroyed when boiled in water for a long time or in strong alkali.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. 2. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Allantoin exists in cystic fluid, fetal urine and some…in things. But extracting vesicles from these substances is too expensive. The current methods for synthesizing allantoin include: potassium permanganate oxidation of urea acid method: heating dichloroacetic acid and urea to synthesize allantoin; direct condensation method of glyoxylic acid and urea. 1. The process using dichloroacetic acid and urea as raw materials is as follows: Put sodium methoxide solution and methanol into the reaction tank, heat to 40-50°C, slowly add dichloroacetic acid dropwise, and then reflux for 2 hours after the addition. Cool to room temperature, filter, wash with methanol, combine the filtrate and add sodium dimethoxylate methanol solution. The solution was reduced to dryness under reduced pressure, added 2.8 parts of hydrochloric acid, heated on a water bath and stirred into a paste. Then raise the temperature to 90°C, then cool to about 10°C, filter, add 0.25 parts of hydrochloric acid and urea to the small liquid, heat to dissolve, and react at 80°C for 2 hours. Cool and crystallize, then maintain it at 0°C for more than 3 hours, centrifuge, wash with water, spin dry, and dry to obtain a fine product. The crude product is recrystallized with 15 times of water to obtain allantoin. The total yield of dichloroacetic acid is 30.3%. 2. Direct condensation of glyoxylic acid and urea (glyoxylic acid is obtained by oxidation of glyoxal) Operation example: (1) Oxidation in a 500ml four-neck bottle equipped with mechanical stirring, condenser, thermometer and dropping funnel, Add 193g (1mol) 30% glyoxal aqueous solution, and add 135.5g (1mol) 45% nitric acid dropwise with stirring while controlling the internal temperature to 40±2°C. After the addition, continue the stirring reaction at this temperature for 2-3 hours until the red-brown oxidation ceases. Escape, the reaction solution turns blue-green and disappears. Change to a simple distillation device, distill out about 125g of water at about 2.76kPa and the external temperature does not exceed 60°C. The concentrated solution is allowed to stand at room temperature overnight. The precipitated oxalic acid crystals (19g after drying, totaling 0.21mol) have a concentration of 39%. ). Continue to stir and react at an internal temperature of 40±2°C for about 8 hours, and the oxidation reaction will be completed. (2) Condensation In a 500ml three-necked flask equipped with a mechanical stirrer, condenser and thermometer, add the above 150g glyoxylic acid aqueous solution, then add 170g (2.83mol) urea and 23.3g concentrated hydrochloric acid, and heat with stirring until the internal temperature reaches 80 ℃. After about 15 minutes, the urea dissolves and the reactant becomes a transparent liquid. After about 30-45 minutes, the reactant becomes white and turbid, and then the white precipitate gradually increases. Stir for 1 hour at an internal temperature of 80°C. Stop heating and cool the reactant to room temperature. Use a Buchner funnel to collect the white precipitate and precipitate with cold water several times to obtain crude allantoin. Recrystallize with 1000ml distilled water. 60-63% of white fine crystalline allantoin is obtained, with a melting point of 236°C (decomposition). Based on glyoxal, the allantoin yield is 38-40% of the theory (weight yield is 103-108%).

2. It is synthesized by heating using dichloroacetic acid and urea as raw materials. Add sodium methoxide solution and methanol to the reaction kettle, heat to 40-50°C, slowly add dichloroacetic acid dropwise, and reflux for 2 hours after the addition. Cool to room temperature, filter, wash with formic acid, and combine the filtrate to obtain a methanol solution of sodium dimethoxyacetate. Concentrate the solution to dryness under reduced pressure, add 2.8 parts of hydrochloric acid, heat over water and stir to form a paste. Then raise the temperature to 90°C, then cool to about 10°C, filter, add 0.25 parts of hydrochloric acid and urea to the filtrate, heat to dissolve, and react at 80°C for 2 hours. Cool and crystallize, then maintain at 0°C for more than 3 hours, centrifuge, wash with water, spin and dry to obtain crude product. The crude product is recrystallized with 15 times of water to obtain allantoin. The response is as follows:

Purpose

1. Used for skin care, oral products, anti-allergy, treating skin ulcers and promoting wound healing.

2.Allantoin has the effect of stimulating the growth of healthy tissue and healing injuries. It is often used in the manufacture of medical ointments to treat wounds and ulcers. This product also promotes the water absorption capacity of the outermost tissues of the skin and hair, protects against light, and has antioxidant effects, making the skin soft, elastic, shiny, and preventing dryness and cracking. Since allantoin has the effect of softening keratin, it can keep hair from splitting or breaking. It can be used as an additive in skin care and hair conditioner cosmetics. It can also be used as a plant growth promoter in agriculture. Allantoin is also a biochemical reagent.

3. Digestive system drugs are used to treat gastric ulcers, duodenal ulcers, chronic gastritis, antral gastritis and gastritis caused by drugs. They are also used externally to eliminate ulcers. It is also widely used as a quality improver in daily chemicals such as beauty cosmetics, shampoo, soap, toothpaste, astringent liquid, and acne liquid.

trimethylamine borane

Structural formula

Business number	01J7
Molecular formula	C3H12BN
Molecular weight	72.95
label	Trimethylaminoboron, triphenylphosphine borane, Borane Trimethylamine Complex, Borane-trimethylamine Complex, Trimethylamine borane, (CH3)3N·BH3

Numbering system

CAS number:75-22-9

MDL number:MFCD00012420

EINECS number:200-850-4

RTECS number:PA0525000

BRN number:3905060

PubChem number:24849578

Physical property data

1. Character:Crystal. Sensitive to moisture. solid in100℃Stable.

2.Density (g/mL,25/4℃): Undetermined

3. Relative vapor density ( g/mL,AIR =1): Undetermined

4. Melting point (ºC): 94

5. Boiling point (ºC,Normal pressure):72

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC ): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Log value of the partition coefficient of water: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined.

Toxicological data

1, acute toxicity

大Mouse abdominal cavityLD50: 175mg/kg

小Mouse abdominal cavityLD50:140mg/kg

2. Teratogenicity

Mouse: 10umol/L

E. coli: 10umol/plate

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors:0

3. Number of hydrogen bond acceptors:0

4. Number of rotatable chemical bonds:0

5. Number of tautomers:

6. Topological molecule polar surface area (TPSA):0

7. Number of heavy atoms:5

8. Surface charge:1

9. Complexity:28.4

10. Number of isotope atoms:0

11. Determine the number of atomic stereocenters:0

12. Uncertain number of atomic stereocenters:0

13. Determine the number of stereocenters of chemical bonds:0

14. Uncertain number of chemical bond stereocenters:0

15. Number of covalent bond units:1

Properties and stability

Storage method

This product should be inert Gas-sealed and stored in a cool and dry place.

Synthesis method

None yet

Purpose

Keto and Schiff Bases (Schiff bases) reduction and hydroboration of alkenes. Exchange with acidic deuterium oxide to prepare deuterated reduced compounds.

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Histamine dihydrochloride

Structural formula

Business number	0185
Molecular formula	C5H9N3•2HCl
Molecular weight	184.07
label	2-(4-Imidazolyl)ethylamine hydrochloride, 2-(4-Imidazolyl)ethylamine dihydrochloride

Numbering system

CAS number:56-92-8

MDL number:MFCD00012703

EINECS number:200-298-4

RTECS number:MS1575000

BRN number:3624116

PubChem number:24277777

Physical property data

1. Characteristics: colorless Prismatic crystal or white crystalline powder. Odorless. Has a salty taste. Sensitive to light and air. Hygroscopic.

2. Density (g/mL,25/4℃) ： Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 244～246

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index:��OK

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC): not OK

11. Vapor Pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure ( kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): not OK

19. Solubility: Easy Soluble in water, methanol, ethanol and acetone, very slightly soluble in ether and chloroform. Aqueous solutions are acidic to litmus

Toxicological data

1, acute toxicity: rat abdominal cavity LD50: 1550mg/kg; rat via brain LD50: >28mg/kg; mouse Oral LD50: 2534mg/kg; mouse abdominal cavity LD50: 184mg/kg;
Mouse subcutaneous LDLo: 1300mg/kg; Mouse intravenous LD50: 370mg/kg; Rabbit intravenous LD50: 200mg/ kg; Guinea pig abdominal cavity LD50: 4602ug/kg;
Guinea pig parenteral LD50: 570ug/kg
2, reproductive toxicity: abdominal cavity of female mice TDLo: 2400mg/kg, 1-6 days after conception

Ecological data

None yet

Molecular structure data

1. Molar refractive index:31.86

2. Molar volume (m³/mol):97.4

3. isotonic specific volume (90.2K):266.6

4. Surface Tension (dyne/cm):56.0

5. Polarizability（10^-24cm³<SPAN style="FONT-SIZE: 9pt; FONT-FAMILY: Song Dynasty; mso-asci

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 54.7

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 64.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None yet

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

None yet

Purpose

Biochemical studies, determination of histamine substrates.

o-aminoazotoluene

Structural formula

Business number	02CC
Molecular formula	C14H15N3
Molecular weight	255.29
label	4-amino-2‘,3-dimethylazobenzene, Toluene azoaminotoluene, 2,3′-dimethyl-4′-aminoazobenzene, o-Aminoazotoluene, Solvent yellow 3, 2,3-Dimethyl-4′-aminoazobenzene, Fast garnet GBS base, 2-Methyl-4-[(2-methylpentyl)azo]benzenamine, Solvent yellow35-(o-Tolylazo)-2-aminnotoluene

Numbering system

CAS number:97-56-3

MDL number:MFCD00007733

EINECS number:202-591-2

RTECS number:XU8800000

BRN number:6506005

PubChem number:24847463

Physical property data

Appearance: yellow-brown powder.
Density (g/mL, 20℃): Undetermined
Relative vapor density (g/mL, air=1): Undetermined
Melting point ( ºC): 101～102
Boiling point (ºC, normal pressure): Undetermined
Boiling point (ºC, KPa): Undetermined
Refractive index: Undetermined Determined
Flash point (ºC): Not determined
Specific optical rotation (º): Not determined
Autoignition point or ignition temperature (ºC): Not determined Determined
Vapor pressure (mmHg, ºC): Undetermined
Saturation vapor pressure (kPa, ºC): Undetermined
Heat of combustion (KJ/mol) : Undetermined
Critical temperature (ºC): Undetermined
Critical pressure (KPa): Undetermined
Oil-water (octanol/water) partition coefficient Log value: Undetermined
Upper explosion limit (%, V/V): Undetermined
Lower explosion limit (%, V/V): Undetermined
Solubility: insoluble in water, soluble in ethanol, chloroform, and ether.

Toxicological data

1. Acute toxicity: Rat oral LD5O: 1500 mg/kg N02

Ecological data

This substance is harmful to the environment. Do not let this substance enter the environment.

Molecular structure data

1. Molar refractive index: 69.61

2. Molar volume (cm³/mol): 205.4

3. Isotonic specific volume (90.2K ): 516.9

4. Surface tension (dyne/cm): 40.0

5. Polarizability (10-24cm3): 27.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 50.7

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 264

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters��: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain Number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. May cause cancer, avoid exposure.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

1. Used as dyes and pharmaceutical intermediates.

4-Aminomethylbenzoic acid

Structural formula

Business number	0184
Molecular formula	C8H9NO2
Molecular weight	151.17
label	p-aminomethylbenzoic acid

Numbering system

CAS number:56-91-7

MDL number:MFCD00010203

EINECS number:200-297-9

RTECS number:None

BRN number:1100606

PubChem number:24846170

Physical property data

1. Character: Hydrate It is white scaly or crystalline powder. Odorless, slightly bitter taste.

2. Density (g/mL,25/4℃) ： Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 340-350

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: not OK

8. Flash point (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC): not OK

11. Vapor Pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure ( kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined

17. Explosion upper limit (%,V/V): not OK

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: soluble In boiling water, slightly soluble in water, almost insoluble in ethanol, benzene and chloroform.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 41.63

2. Molar volume (m³/mol）：121.9

3. isotonic specific volume (90.2K):335.2

4. Surface tension (dyne/cm）：57.1

5. Polarizability（10^-24cm³):16.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 139

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

There are three processes: (1) is derived from the catalytic hydrogenation of p-cyanobenzoic acid; (2) aminated from p-chloromethylbenzoic acid And get; (3) is derived from the amination of p-bromomethylbenzoic acid.

Purpose

Organic synthesis intermediates. Hemostatic drugs and fibrinolytic inhibitors are suitable for various diseases caused by excessive fibrinolytic enzyme activity.

calcium carbide

Structural formula

Business number	01J6
Molecular formula	CaC2
Molecular weight	64.10
label	Carbide Level 4, calcium carbide, Calcium acetylide, Acetylenogen, other

Numbering system

CAS number:75-20-7

MDL number:MFCD00010905

EINECS number:200-848-3

RTECS number:None

BRN number:3909011

PubChem number:24856368

Physical property data

1. Characteristics: Colorless crystals, industrial products are gray-black lumps, and the cross-section is purple or gray. ^[1]

2. Melting point (℃): 2300^[2]

3. Boiling point (℃): decomposition ^[3]

4. Relative density (water = 1): 2.22^[4]

5. Octanol/ Water distribution coefficient: -0.30^[5]

6. Ignition temperature (℃): >325^[6]

7.Solubility: No data yet

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[7] This substance is harmful to the environment and should be specially Pay attention to water pollution.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: none

6. Topological molecule polar surface area 61.8

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 271

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[8] Stable

2. Incompatible substances^[9] Water, alcohols, acids

3. Conditions to avoid contact^[10] Humid air

4. Hazards of aggregation^[11] No aggregation

Storage method

Storage Precautions^[12] Store in a cool, dry and well-ventilated special warehouse with a temperature not exceeding 32°C and a relative humidity not exceeding 75%. Keep away from fire and heat sources. The packaging must be sealed and protected from moisture. It should be stored separately from acids, alcohols, etc. and avoid mixed storage. The storage area should be equipped with appropriate� materials to contain spills.

Synthesis method

1. The electric furnace reduction method is currently the only method for industrial production of calcium carbide. This method was industrialized in the United States as early as 1895. The production involves high-temperature operations, a lot of dust, and high power consumption. Improvements in the process can improve operating conditions, reduce heat loss, and increase carbon monoxide recovery and utilization. Closed and large-scale Calcium carbide furnace. Crush the coke and lime, mix them evenly according to the proportion, add them to a closed calcium carbide furnace, heat them with electricity, and perform a reduction reaction at 2000-2200°C to generate molten calcium carbide, which flows from the furnace into a calcium carbide pot for cooling, crushing, and packaging. kg/ton of coke (84% fixed carbon) 550 limestone (CaO92%) 840 electrode paste 30 electricity 3200 (degree/ton)

2. Calcium carbide can be directly produced from the two elements of carbon and metallic calcium in an electric arc furnace Synthetically, or by reacting calcium oxide and carbon in an electric arc furnace at a high temperature of 2000°C. The purity of the products produced by these two methods is not high. The purity of calcium carbide produced by heating calcium cyanamide CaCN2 or calcium cyanamide and carbon in high vacuum can reach 99%.

The alumina boat is filled with pure calcium cyanamide or a mixture of calcium cyanamide and acetylene carbon black (or sugar charcoal), and the boat is placed in a ground-mouthed high-aluminum vessel with one end closed. To make porcelain tubes, this tube is connected to a vacuum pump and heated with a molybdenum wire furnace.

Heating CaCN2 or the mixture of CaCN2 and C must be carried out in two steps: the first step is to heat to 1100~1150℃ for 2~3 hours in high vacuum to fully decompose CaCN2 and remove as much N2 as possible. At this time, care should be taken to control the temperature not to exceed 1150°C to avoid the formation of a CaCN2CaC2 eutectic at 1170°C. In the second step, continue to raise the temperature to 1350°C for 1 hour, remove the remaining N2, and obtain pure white calcium carbide. Purity reaches 99%.

Attached is the preparation method of calcium cyanamide. Pure HCN is dried by CaCl2 and P2O5 and condensed in a low-temperature receiver. The collection amount should be equal to 3 times the calculated amount. Put CaCO3 in a porcelain boat, place the porcelain boat in a porcelain tube, and heat the porcelain tube to 700~850°C. Then warm the HCN receiver to 18°C. N2 gas mixed with a small amount of NH3 is used to carry HCN through CaCO3, and pure white CaCN2 can be obtained after 3 hours, with a purity of 99.4%.

Purpose

1. About 60% of calcium carbide is used in chemical production, and the remaining 40% is used in metal welding and cutting. A series of chemical products can be produced using calcium carbide as raw materials, such as PVC resin, polyvinyl alcohol, vinyl acetate, chloroprene rubber, butanol, octanol, tricyanethylene, tetracyanoethylene, acetaldehyde, acetylene carbon black, lime nitrogen, etc. . The largest consumption is the production of PVC resin, accounting for 60% of the consumption of calcium carbide for chemical industry. Calcium carbide powder is irritating and can damage the skin and respiratory system.

2. It is an important basic chemical raw material, mainly used to produce acetylene gas and calcium cyanamide. Also used in organic synthesis, etc. ^[13]

L-cystine

Structural formula

Business number	0183
Molecular formula	C6H12N2O4S2
Molecular weight	240.3
label	(R,R)-3,3′-dithiobis(2-aminopropionic acid), Dithioaminopropionic acid, Bis-beta-thioalanine, disulfidealanine, (R,R)-3,3′-Dithiobis(2-aminopropionicacid), Cystine, L-Dicysteine, (R,R)-(-)Cystine, L-cystinic acid, biochemical reagents, intermediates, amino acids

Numbering system

CAS number:56-89-3

MDL number:MFCD00064228

EINECS number:200-296-3

RTECS number:HA2690000

BRN number:1728094

PubChem number:24893101

Physical property data

1. Properties: White hexagonal plate-shaped crystals or crystalline powder. Odorless and tasteless.

2. Density (g/mL, 25/4℃): 1.677

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): point 260~261℃ (decomposition)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): [α]D20 -223.4° (C=1, in 1mol/L hydrochloric acid).

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% ,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Soluble in dilute acid and alkaline solutions, Very slightly soluble in water, insoluble in ethanol, ether, benzene and chloroform.

Toxicological data

1. Acute toxicity: Rat oral LD50: 25mg/kg2.Other multiple dose toxicity: rat oral TDLo: 279mg/kg/93D-C

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 55.95

2. Molar volume (cm³/mol): 152.8

3. Isotonic specific volume (90.2K): 468.6

4. Surface tension (dyne/cm): 88.2

5. Polarizability (10^-24cm³): 22.18

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -6.3

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 177

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 192

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stable properties under normal temperature and pressure.

2. Found in tobacco leaves.

3. Widely found in hair, hair, bones and horns.

4. There are three isomers: left-handed body, right-handed body and racemate.

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

1. L-cystine was discovered in 1810 by Wollaston from bladder stones. In 1832, Berzelius named it cystine. It is a sulfur-containing amino acid that exists in small amounts in proteins, mostly in the keratin of hair, fingers and claws. It can also be obtained synthetically. Industrially extracted from hair, the yield can reach 7.5-8%. In actual production, some only reach 5%.
2.Hydrolyze pig hair in hydrochloric acid, filter to remove impurities, crystallize to obtain crude product, add activated carbon for decolorization and decolorizationPrepared from iron, washing and drying.

Add 720kg of hydrochloric acid with a concentration of 10mol/L into the hydrolysis tank and heat it to 70~80℃. Quickly add 400kg of human hair or pig, continue to heat to 100℃, and raise the temperature to 110~117℃ within 1~1.5h, hydrolyze for 6.5~7h (from 100℃), cool and filter. Add 30% to 40% industrial sodium hydroxide solution to the filtrate under stirring. When the pH value reaches 3.0, add alkali solution at a slow speed until the pH value is 4.8. Leave it for 36 hours, separate the precipitate, and centrifuge to dryness to obtain bladder. Crude acid product (I), the mother liquor contains glutamic acid, arginine and leucine, etc. Weigh 150kg of crude cystine (I), add about 90kg of 10mol/L hydrochloric acid and 360kg of water, heat to 65~70°C, stir and dissolve for 0.5h, then add 12kg of activated carbon, heat to 80~90°C, and keep warm for 0.5h. Plate and frame filter press. Heat the filtrate to 80-85°C, add 30% sodium hydroxide while stirring, and stop when the pH reaches 4.8. Let it stand for the crystals to precipitate, siphon the supernatant, separate the bottom precipitate, and then centrifuge and spin dry to obtain crude cystine (II). Weigh 100kg of crude cystine (II), add 500L of 1mol/L hydrochloric acid, heat to 70°C, and then add 3 to 5kg of activated carbon. Then the temperature was raised to 85°C, kept stirred for 0.5h, and plate and frame filtered. Add distilled water about 1.5 times the volume of the filtrate to the filtrate, heat it to 75-80°C, and neutralize it with 12% ammonia water to pH 3.5-4.0 while stirring. At this time, cystine crystals will precipitate. The crystals are centrifuged to dryness, washed with distilled water until there is no chloride ion, and vacuum dried to obtain the finished product of cystine. The yield of human hair can reach 8%, and the yield of pig hair can reach 5%.

Purpose

1. Used for biochemical research. Preparation of biological culture media. It is used in biochemistry and nutrition research. In medicine, it can promote the oxidation and reduction functions of body cells, increase white blood cells and prevent the development of pathogenic bacteria. Mainly used for various types of alopecia. It is also used for acute infectious diseases such as dysentery, typhoid, and influenza, asthma, neuralgia, eczema, and various poisoning diseases, and has the effect of maintaining protein configuration. Also used as food flavoring.

2.Biochemical reagents, used for the preparation of biological culture media. It is also an important component of amino acid infusion and complex amino acid preparations.

3.Used as feed nutritional fortifier, it is beneficial to animal development, increases body weight and liver and kidney function, and improves fur quality.

4.Can be used as a cosmetic additive, which can promote wound healing, prevent skin allergies and treat eczema.

L-cystathionine

Structural formula

Business number	0182
Molecular formula	C7H14N2O4S
Molecular weight	222.26
label	(R)-S-(2-amino-2-carboxyethyl)-L-cysteine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine

Numbering system

CAS number:56-88-2

MDL number:MFCD00036685

EINECS number:200-295-8

RTECS number:None

BRN number:2505200

PubChem number:24892965

Physical property data

1. Character: Crystal.

2. Density (g/mL,25/4℃) ： Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 240 ～250℃（262~263℃).

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): undetermined

7. Refractive index: not OK

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC): not OK

11. Vapor Pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): not OK

19. Solubility: Not available Sure.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 52.59

2. Molar volume (m³/mol）：155.4

3. Isotonic specific volume (90.2K):457.7

4. Surface Tension (dyne/cm):75.2

5. Polarizability（10^-24cm³): 20.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -6

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 7

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):127

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 212

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

Generated by the interaction of o-succinyl homoserine and cysteine. Cystathionine is cystathionine beta–Lyase removes pyruvate and NH3generates homocysteine.

Purpose

For biochemical research.

Isoeugenol

Structural formula

Business number	02CB
Molecular formula	C10H12O2
Molecular weight	164.20
label	2-methoxy-4-propenylphenol, 4-hydroxy-3-methoxypropenylbenzene, 2-methoxy-4-propenylphenol, 4-propenylguaiacol, 2-Methoxy-4-propenylphenol, 4-Hydroxy-3-methoxypropenylbenzene, 4-Propenylguaiacol

Numbering system

CAS number:97-54-1

MDL number:MFCD00009285

EINECS number:202-590-7

RTECS number:SL7875000

BRN number:1909602

PubChem number:24881222

Physical property data

Characteristics: light yellow liquid with a clove-like smell.
Density (g/mL, 20℃): 1.079~1.0851
Relative vapor density (g/mL, air=1): Undetermined
Melting point (ºC): -10
Boiling point (ºC, normal pressure): 268
Boiling point (ºC, KPa): Undetermined
Refractive index_(n²⁰_D): 1.575
Flash point (ºC): 112
Specific rotation ( º): Not determined
Autoignition point or ignition temperature (ºC): Not determined
Vapor pressure (mmHg, 20ºC): <0.01
Saturated vapor Pressure (kPa, 25ºC): 0.093
Heat of combustion (KJ/mol): Undetermined
Critical temperature (ºC): Undetermined
Critical pressure ( KPa): Undetermined
Log value of oil-water (octanol/water) partition coefficient: Undetermined
Explosion upper limit (%, V/V): Undetermined
Lower explosion limit (%, V/V): Undetermined
Solubility: Slightly soluble in water, soluble in ethanol, ether, chloroform, and propylene glycol.

Toxicological data

1. Skin/eye irritation: Standard Dresser test: Male skin contact, 16mg/48HREACTION SEVERITY, moderate reaction; Standard Dresser test: Rabbit skin contact, 100mg/24HREACTION SEVERITY, strong reaction; Standard Dresser test: Guinea pig skin contact, 100mg/24HREACTION SEVERITY, strong reaction; 2. Acute toxicity: Rat oral LD50: 1560mg/kg; Mouse peritoneal cavity LD50: 328mg/kg; Guinea pig oral LD50: 1410mg/kg; 3. Mutagenicity Properties: Sister chromatid exchange experiment: human lymphocytes, 250 μmol/L;

Ecological data

This substance may be harmful to the environment and it is recommended not to let it enter the environment.

Molecular structure data

1. Molar refractive index: 50.70

2. Molar volume (cm³/mol): 152.8

3. Isotonic specific volume (90.2K ): 381.9

4. Surface tension (dyne/cm): 38.9

5. Polarizability (10-24cm3): 20.10

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 29.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 154

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. Exist in oriental tobacco leaves and tobacco leaves.

3. Exist in nutmeg oil, ylang-ylang oil, etc.

4. There are two isomers, cis and trans, which have allergic effects at high concentrations. The dosage in consumer products that do not come into contact with the skin should not exceed 0.5%.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container sealed and strictly prohibited from contact with air. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Obtained from the isomerization of eugenol by heating in potassium hydroxide solution. Treat eugenol or eugenol-rich essential oils with a potassium hydroxide solution to convert it into a salt. It is then heated to isomerize. After cooling, use dilute sulfuric acid to decompose the alkali metal salt, free isoeugenol, wash with water, dry, and distill under reduced pressure to obtain the finished product. Isoeugenol is found naturally in ylang ylang oil and nutmeg oil. In addition to the preparation method of eugenol isomerization, it is also prepared industrially by the synthesis method of safrole or isosafrole.

2. Heat the amyl alcohol solution of eugenol and potassium hydroxide to 200-230°C, then pour it into water, acidify it with inorganic acid, and distill the precipitated oil layer to obtain the fine product.

3. Tobacco: OR, 26; synthesis: obtained by heating eugenol and potassium solution.

Purpose

It is more elegant than eugenol for blending. It is often used as the main agent of carnation essence. It is also widely used in various other floral essences. It is very stable as a fragrance for cosmetics and soaps. It is also used as a food flavoring for apples, grapes, plums, apricots, raspberries or walnuts. It also has applications in dental medicine. In industry, vanillin is generally produced by oxidation of isoeugenol.

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L-lysine

Structural formula

Business number	0181
Molecular formula	C6H14N2O2
Molecular weight	146.19
label	(S)-2,6-diaminocaproic acid, (S)-2,6-Diaminocaproic acid, (S)-(+)-Lysine, amino acid drugs, intermediates, Biochemical reagents

Numbering system

CAS number:56-87-1

MDL number:MFCD00064433

EINECS number:200-294-2

RTECS number:OL5540000

BRN number:1722531

PubChem number:24896404

Physical property data

1. Properties: Colorless needle-like crystals or crystalline powder. Optically active.

2. Density (g/mL, 25/4℃): 1.125

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): It turns black when heated to 210℃ and decomposes at 224.5℃.

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): α]D20 +14.6° (C=6.5, in water), [ α]D23+25.9° (C=2, in 6mol/L hydrochloric acid)

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure ( kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient pair Value: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: hygroscopic. Very soluble in water, slightly soluble in ethanol, almost insoluble in ether.

Toxicological data

1. Reproductive toxicity: Oral TDLo of female rats: 138mg/kg, conception takes 5-15 days; Oral TDLo of female rats: 72450mg/kg, conception takes 10-20 days; Oral TDLo of female rats: 90450mg/kg, Conception occurs after 10-20 days; oral TDLo for female rats: 81 mg/kg, conception occurs after 10-20 days; intraperitoneal TDLo for female rats: 44 mg/kg, conception occurs after 5-15 days 2. Mutagenicity: sister chromatid exchangeTEST system : Human lymphocytes: <SPAN lang=E BODY

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 38.43

2. Molar volume (cm³/mol): 129.9

3. Isotonic specific volume (90.2K ): 348.1

4. Surface tension (dyne/cm): 51.5

5. Polarizability (10-24cm3): 15.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 89.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 106

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Found in tobacco leaves.

Storage method

This product should be sealed and stored dry and below 0℃.

Synthesis method

1. L-lysine is generally supplied to the market as L-lysine hydrochloride [657-27-2]. Free L-lysine is easily deliquescent and prone to yellowing and deterioration due to its free amino groups. , and has a pungent fishy smell, making it difficult to store for a long time. L-lysine hydrochloride is relatively stable, not easy to deliquesce, and easy to store. However, the demand for L-lysine in some uses is also increasing, such as peptide synthesis chemistry, biochemical research, and preparation of lysine derivatives. Free L-lysine can be prepared from L-lysine hydrochloride.

2. Tobacco: BU, 22; FC, 21; can be obtained by hydrolysis and refining of animal protein. It can also be synthesized from benzoyl piperidine.

Purpose

For biochemical research. Medium preparation.