PU Technology – Page 30

2,7-dimethylquinoline

Structural formula

Business number	0266
Molecular formula	C11H11N
Molecular weight	157.21
label	2,7-Methylquinaldine, m-Toluquinaldine

Numbering system

CAS number:93-37-8

MDL number:MFCD00006763

EINECS number:202-242-4

RTECS number:None

BRN number:None

PubChem number:24848739

Physical property data

1. Properties: needle-like crystals.

2. Density (g/mL, 25/4℃): 1.0611.

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

4. Melting point (ºC): 61

5. Boiling point ( ºC, normal pressure): 264～265

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

7. Refractive index: 1.6075.

8. Flash point (ºC): Not determined

9. Specific 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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

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

19. Solubility: Soluble in ethanol, ether and benzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 51.83

2. Molar volume (cm³/mol): 149.3

3. Isotonic specific volume (90.2K ): 380.5

4. Surface tension (dyne/cm): 42.1

5. Polarizability (10-24cm3): 20.54

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 12.9

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 155

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

Storage method

This product should be sealed and stored away from light.

Synthesis method

Heat the aniline with iodine to 170-175°C, add acetone dropwise, and stir vigorously while collecting the distillate. Aniline and the middle fraction 2,2,4 trimethyl-1,2-dihydroquinoline are separated from the reaction mixture and distillate by distillation under reduced pressure. The latter is heated and reacted with anhydrous aniline, metallic sodium and copper powder, and fractionated under reduced pressure from the reactants to obtain 2,4-dimethylquinoline with a yield of 80-90%.

Purpose

Used in organic synthesis. Dye intermediates.

ethinylestradiol

Structural formula

Business number	018U
Molecular formula	C20H24O2
Molecular weight	296.41
label	17α-Ethyne-1,3,5-(10)-estrotriene-3,17β-diol, 17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol

Numbering system

CAS number:57-63-6

MDL number:MFCD00003690

EINECS number:200-342-2

RTECS number:RC8925000

BRN number:2419975

PubChem number:24894585

Physical property data

1. Properties: White to milky white crystalline powder. Odorless.

2. Density (g/mL, 25/4℃): 1.1460

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

4. Melting point (ºC): 145-146℃ (hemihydrate). 182-184℃ (anhydrous)

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): 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. The logarithmic value of the 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 ethanol��, propanol, ether, chloroform, dioxane, vegetable oil and sodium hydroxide solution are almost insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 86.26

2. Molar volume (m3/mol): 244.4

3. Isotonic specific volume (90.2K): 672.4

4. Surface tension (dyne/cm): 57.2

5. Polarizability (10-24cm3): 34.19

Compute chemical data

1. Reference value for calculating hydrophobic parameters (XlogP): 3.7

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond receptors: 2

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: 9

6. Topological molecular polar surface area (TPSA): 40.5

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 505

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 5

12. Number of uncertain atomic stereocenters: 0

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

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Stored in inert gas.

Synthesis method

Obtained from the ethynylation of estrone (C18H22O2, [53-16-7]): Heat toluene isobutanol, potassium hydroxide and isobutanol under reflux and azeotropic dehydration for 8 hours, add tetrahydrofuran, and heat at 25-40°C Pour acetylene down to the required amount. Add estrone solution in tetrahydrofuran and continue to pass acetylene at 5-10°C for 12 hours. Use 30% sulfuric acid to adjust the slight acidity below 40°C, and recover tetrahydrofuran under reduced pressure. Remove the residual solution by steam distillation, cool, filter, wash with water until neutral, and dry at 80°C to obtain crude ethinyl estradiol. After recrystallization from ethanol and decolorization of activated carbon, the finished product is obtained. The yield is 85%.

Purpose

This product is an estrogen drug. It has the same effect as diethylstilbestrol, but is 20 times more potent. Used in combination with progestin-based contraceptives, it has a synergistic effect in inhibiting ovulation, can enhance contraceptive efficacy, and can reduce side effects such as breakthrough bleeding. In addition, it can also be used for menstrual disorders such as amenorrhea, oligomenorrhea, menopausal syndrome and uterine hypoplasia. For preparation of contraceptive pills.

β-propiolactone

Structural formula

Business number	018T
Molecular formula	C3H4O2
Molecular weight	72.06
label	2-Oxetanone, β-Propionolactone, Propanolide, vaccine inactivator, disinfectant, preservative, fungicides, Standard materials for analysis

Numbering system

CAS number:57-57-8

MDL number:MFCD00005169

EINECS number:200-340-1

RTECS number:RQ7350000

BRN number:1360

PubChem number:24898684

Physical property data

1. Properties: flammable, colorless and toxic liquid.

2. Density (g/mL, 25/4℃): 1.1460

3. Relative density (g/mL, 20℃): 1.148

4. Melting point (ºC): -33.3

5. Boiling point (ºC, normal pressure): 162 (decomposition)

6. Flash point (ºC): 74 (open cup method)

7. Refractive index (20ºC): 1.4135

8. Flash point (ºC): 70

9. Boiling point (ºC, 6.65KPa): 80

10. Boiling point (ºC, 2.26KPa): 61

11. Boiling point (ºC, 1.33KPa): 51

12. Vapor pressure (Pa, 25ºC): 453.3

13. Relative density (20℃, 4℃): 1.1460

14. Refractive index at room temperature (n²⁵): 1.4117

15. Solubility parameter (J·cm^-3)^0.5: 29.036

16. van der Waals area (cm ²·mol^-1): 4.900×10⁹

17. van der Waals volume (cm³·mol^-1): 35.660

18. Liquid phase standard hot melt (J·mol^-1·K^-1): 123.1

19. Solubility: soluble in most organic solvents, often in CH₂Cl₂, Used in THF and DMF.

20. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -1469.3

21. Gas phase standard claimed heat (enthalpy) ( kJ·mol^-1): -282.9

22. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -1422.3

23. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -329.9

Toxicological data

1. Skin irritation: Both liquid and steam are irritating to the skin, and prolonged contact may cause rashes and blisters.
2. Systemic toxicity: mouse intravenous LD₅₀ 345±8.8mg/Kg.
When the content of the little white rat inhaled the air in the air is 0.36mg/L, after exposing 2HR, the death is 40%; when the concentration is 0.72 mg/L, the death is 80%after exposed 2HR.
When a dog inhales air with a concentration of 0.45 mg/L, he will die two days after being exposed for 2 hours.
3. Carcinogenicity: Carcinogenic to animals.

4. Strongly irritating to skin, mucous membranes and eyes.

Ecological data

When containing a large amount of polymer, it will settle on the surface of the object after spray disinfection. It is neither volatile nor soluble in water, making it difficult to remove.

Molecular structure data

1. Molar refractive index: 15.57

2. Molar volume (cm³/mol): 58.5

3. Isotonic specific volume (90.2K ): 145.9

4. Surface tension (dyne/cm): 38.7

5. Polarizability (10^-24cm³)：6.17

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 57.9

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

1. Stable when placed in a glass bottle at 5℃. Hydroxypropionic acid is generated when moisture enters or is hydrolyzed, and its aqueous solution is rapidly decomposed. The hydrolysis rate accelerates with the increase of temperature. The half-life of the aqueous solution is only 18hr at 10°C, 3.5hr at 25°C, 20min at 50°C, and 5min at 75°C. If stored at high temperature, it will polymerize within 6 to 8 weeks. Inorganic salts, acids or bases have a catalytic effect on isopropyl lactone liquid, or react with it to form new products. If stored for too long, the active ingredients should be measured before use.

2. It may have carcinogenic toxicity and is highly volatile, so it is best to use and operate it in a fume hood.

3. Due to its high volatility and toxicity, it is not recommended to prepare it in the laboratory.

4. Found in tobacco leaves.

5. Carcinogenic.

Storage method

Seal and store in a dry place at 4°C.

Synthesis method

1. Ketone is obtained by cracking acetic acid, and then combined with formaldehyde in a molar ratio of 3:1, using chlorine as the diluent, and gas phase condensation or liquid condensation under the action of BF3 catalyst.

2. This product can be synthesized by reacting β-iodopropionic acid with silver oxide.

3. The catalytic carbonylation reaction of propylene oxide and CO can be used to prepare this reagent ^[1].

Purpose

1. Used as an intermediate for drugs, resins and fiber modifiers, also used as a bactericidal disinfectant, used in plasma and vaccines Sterilize. The derivative β-mercaptopropionic acid is a PVC stabilizer and a raw material for medicine. It is also used as a solvent, organic synthesis intermediate, and analytical standard material.

2. β-Propanolactone is mainly used as a three-carbon synthon in organic synthesis. Depending on the reaction conditions or the nucleophile in the reaction, the reaction can selectively proceed along pathway A or pathway B to generate two different types of products (Formula 1).

β-Propanolactone and metal nucleophiles (such as lithium reagent and Grignard reagent) Mainly Proceeding along pathway A, there is no obvious difference from the normal reaction. But in most cases, mixtures are generated, and the meaning of synthesis is gradually replaced by other reactions. The most commonly used reaction now is the alcoholysis or amidolysis of β-propionolactone to generate the corresponding β-propanolate or β-propanolate amide (formula 2)^[2~4].

β- Propanolactone and phenol^[5], aromatic amines^[6,7], thiols^[8], ketones or imines ^[9]The reaction occurs selectively along pathway B. Under these conditions, aromatic amines can easily generate β-aminopropionic acid (Formula 3). Thiol and β- propionolactone form β- thioether propyl Acid reactions are particularly useful in the synthesis of sulfur-containing sugar compounds. The mild reaction conditions hardly have any effect on other functional groups (Formula 4). Ketones or imines will generate cyclic structural compounds, and if they react with cyclic ketones or cyclic ketimines, they will generate products with spirocyclic structures (Formula 5).

β-Propanolactone reacts with titanocene reagents to generate enol cyclic ethers with exocyclic double bonds^[10]. In the presence of metal catalysts Under the condition of ^[11]

1,2-propanediol

Structural formula

Business number	018S
Molecular formula	C3H8O2
Molecular weight	76.10
label	propylene glycol, 1,2-dihydroxypropane, α-propylene glycol, Methyl glycol, propylene glycol, One propyl alcohol, 1,2-Dihydroxypropanol, Propylene glycol, 1,2-Dihydroxy-propane, Methyl glycol, Aliphatic alcohols, ethers and their derivatives

Numbering system

CAS number:57-55-6

MDL number:MFCD00064272

EINECS number:200-338-0

RTECS number:TY2000000

BRN number:1340498

PubChem number:24864713

Physical property data

1. Properties: Colorless, viscous and stable water-absorbing liquid, almost tasteless and odorless, flammable, low toxicity.

2. Boiling point (ºC, 101.3kPa): 187.3

3. Melting point (ºC, pouring point): -60

4. Relative density (g /mL, 20/20ºC): 1.0381

5. Relative density (20℃, 4℃): 1.0362

6. Refractive index (n20ºC): 1.4329

7. Viscosity (mPa·s, 0ºC): 243

8. Viscosity (mPa·s, 20ºC): 56.0

9. Viscosity (mPa·s, 40ºC) : 18

10. Flash point (ºC, closed): 98.9

11. Flash point (ºC, open): 107

12. Fire point (ºC ): 421.1

13. Heat of combustion (KJ/mol, constant pressure): 1827.5

14. Heat of combustion (KJ/mol, constant volume): 1825.0

15. Heat of combustion (KJ/mol, 20ºC, 101.3kPa): 1853.1

16. Heat of evaporation (KJ/kg): 538.1

17. Heat of generation (KJ/ mol, 20ºC): 500.3

18. Specific heat capacity (KJ/(kg·K), 20ºC, constant pressure): 2.48

19. Critical temperature (ºC): 351

20. Critical pressure (MPa): 5.9

21. Thermal conductivity (W/(m·K)): 0.217714

22. Lower explosion limit (% ,V/V): 2.6

23. Explosion upper limit (%,V/V): 12.5

24. Volume expansion coefficient (K^-1 , 20ºC): 0.000695

25. Volume expansion coefficient (K^-1, 55ºC): 0.000743

26. Vapor pressure (kPa, 55ºC): 0.19

27. Solubility: can be dissolved with water and ethanolMiscible with various organic solvents such as ether, chloroform, and acetone. Although its solubility in hydrocarbons, chlorinated hydrocarbons, and grease is small, its solubility is stronger than that of ethylene glycol.

28. Relative density (25℃, 4℃): 1.0328

29. Refractive index at room temperature (n²⁵): 1.4314

30. Solubility parameter (J·cm^-3)^0.5: 29.516

31. van der Waals area (cm²·mol^-1): 6.960×10⁹

32. van der Waals volume (cm³·mol^-1): 46.760

33. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -1902.55

34. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): -421.29

35. Liquid phase standard combustion heat (enthalpy) (kJ ·mol^-1): -1838.14

36. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -485.72

37. Liquid phase standard hot melt (J·mol^-1·K^-1): 189.9

Toxicological data

1. Toxicity classification Low toxicity2. Acute toxicity Oral – Rat LD50: 20000 mg/kg; Oral – Mouse LC50: 32000 mg/kg. 3. Irritation data Eyes – Rabbit 100 mg Mild 4. Low toxicity. It has minimal toxicity and irritation. The oral LD50 in rats is 32.5mL/kg. However, it is hemolytic and should not be used for intravenous injection. Like ethylene glycol, it carries the same risk of causing kidney disorders when added to food and drinks. Therefore some countries have banned its use in the food industry.

Ecological data

None

Molecular structure data

1. Molar refractive index: 18.97

2. Molar volume (cm³/mol): 73.4

3. Isotonic specific volume (90.2K ): 182.3

4. Surface tension (dyne/cm): 38.0

5. Polarizability (10^-24cm³): 7.52

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: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 20.9

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. Flammable liquids. It is hygroscopic and non-corrosive to metals. It reacts with dibasic acid to form polyester, reacts with nitric acid to form nitrate ester, and reacts with hydrochloric acid to form chlorohydrin. Heating with dilute sulfuric acid at 170°C converts it into propionaldehyde. Oxidation with nitric acid or chromic acid produces glycolic acid, oxalic acid, acetic acid, etc. Reacts with aldehydes to form acetal. Dehydration of 1,2-propanediol produces propylene oxide or polyethylene glycol.

2.Its toxicity and irritation are very small, and no victims have been found so far. Rats were given LD507000~8000mg/kg by intravenous injection and intraperitoneal injection, and LD502800mg/kg by mouth. However, there are also reports that when too high a dose is added to food and beverages, it may cause fatal drowsiness and kidney disorders.

3. Exist in tobacco leaves and smoke.
　

Storage method

1. This product should be sealed and stored in a cool and dry place. Keep away from fire and heat sources. It can be stored in containers made of iron, mild steel, copper, tin, stainless steel or resin-coated containers.

2. Although this product will not spontaneously ignite, it is combustible. It will not deteriorate after long-term storage, but it will absorb moisture when opened. Storage and transportation containers should be made of galvanized iron drums, aluminum or stainless steel. Store and transport according to general regulations on low-toxic chemicals.

Synthesis method

1. Propylene oxide direct hydration method is a pressurized non-catalytic hydrolysis method. It is produced by direct hydration of propylene oxide and water at 150-160°C and 0.78-0.98MPa pressure. The reaction product is evaporated and distilled to obtain the finished product. 2. Propylene oxide indirect hydration method is produced by indirect hydration of propylene oxide and water using sulfuric acid as a catalyst have to. 3. Direct catalytic oxidation of propylene. 4. Using 1,2-dichloropropane as raw material This method has two process routes: 1. The first is that dichloropropane is directly hydrolyzed into propylene glycol in a weak alkali aqueous solution; the second is that dichloropropane reacts with carboxylate to first form an ester, and the ester is then hydrolyzed into propylene glycol. (1) Direct hydrolysis process: Add 1,2-dichloropropane, water, sodium bicarbonate and cetyltributylphosphonium bromide into the reaction kettle, and react at 100°C under a carbon dioxide partial pressure of 1.0MPa 18h, 80% propylene glycol is obtained. Control the feeding speed of dichloropropane, that is, the feeding speed is fast at high temperature and slow at low temperature. Example: Add 60g calcium carbonate and 150g water into a 300ml autoclave, stir and heat to 230°C, continuously add dichloropropane at a rate of 0.03g/(min·100gH2O) for 11.5h; continue stirring at this temperature for 30min, and then quench At room temperature, the propylene glycol yield is about 95%. By controlling the temperature within 130-300°C and changing the feed rate of dichloropropane accordingly, the yield of propylene glycol can reach over 95%. (2) Two-step hydrolysis process: The raw materials are first reacted in a kettle reactor. After the dichloropropane reaches a certain conversion rate, the material is then pumped into a plug flow reactor to continue the reaction, and finally hydrolyzed into propylene glycol. Example: Add 606kg of dichloropropane into a 2 cubic meter reaction kettle, then add 800kg of sodium acetate, 556kg of 1,2-propanediol, 10kg of acetic acid and 1kg of water, stir and raise the temperature to 180°C, cool to 120°C after 4 hours, and extract the material. After the preheater is heated to 180°C, it passes through a plug flow reactor with a length of 400m, an inner diameter of 25mm, and a volume of 230L at a speed of 500L/h. The product is collected in the second stirred tank and cooled to room temperature. The analyzed product is: 44kg dichloropropane, 334kg propylene glycol, 32kg sodium acetate, 44kg acetic acid, 234kg 1,2-diacetoxypropane, 693kg propylene glycol monoacetate, 45kg 1-chloropropene, 547kg NACL and 1kg water.

Purpose

1. Propylene glycol is an important raw material for unsaturated polyester, epoxy resin, polyurethane resin, plasticizer, and surfactant. Its usage accounts for about 45% of the total consumption of propylene glycol. This unsaturated polyol Esters are used extensively in surface coatings and reinforced plastics. Propylene glycol is widely used as a hygroscopic agent, antifreeze, lubricant and solvent in the food, pharmaceutical and cosmetic industries due to its good viscosity, hygroscopicity and non-toxic properties. In the food industry, propylene glycol reacts with fatty acids to form propylene glycol fatty acid esters, which are mainly used as food emulsifiers; propylene glycol is an excellent solvent for condiments and pigments. Due to its low toxicity, it is used as a solvent for spices and food colorings in the food industry. Propylene glycol is commonly used in the pharmaceutical industry as a solvent, softener and excipient in the manufacture of various ointments and ointments. In the pharmaceutical industry, it is used as a solvent for blending agents, preservatives, ointments, vitamins, penicillins, etc. Because propylene glycol has good miscibility with various fragrances, it is also used as a solvent and softener in cosmetics. Propylene glycol is also used as a tobacco humidifier, antifungal agent, food processing equipment lubricant, and solvent for food marking ink. Aqueous solutions of propylene glycol are effective antifreeze agents. It is also used as tobacco wetting agent, antifungal agent, fruit ripening preservative, antifreeze and heat carrier.

2.Used in organic synthesis as solvent, dehydrating agent, plasticizer, antifreeze, and gas chromatography fixative.

3.Commonly used organic synthetic raw materials for the manufacture of unsaturated polyester resin. It can also be used as emulsifier, preservative and antifreeze. It is also used in the manufacture of alkyd resins, polypropylene glycol, plasticizers, surfactants and lubricants. Due to its good hygroscopicity and low toxicity, it is used in the pharmaceutical industry as a solvent for blenders, preservatives, ointments, ointments, pills and vitamins, as well as softeners and excipients. Used as a solvent for spices, condiments and food colorings in the food industry. It is also used as tobacco humidifier, antifungal agent, fruit ripening preservative, coating film-forming additive, antifreeze and heat transfer medium. It is also often used as a substitute for ethanol and glycerin, and can be used as a wetting agent in combination with glycerin or sorbitol in toothpaste and cosmetics.

7-Hydroxycoumarin

Structural formula

Business number	0265
Molecular formula	C9H6O3
Molecular weight	162.14
label	7-hydroxy-2H-1-benzopyran-2-one, 7-Hydroxy-2H-1-benzopyran-2-one, Butylidene-4,5-dihydro-3H-isobenzofuran-1-one

Numbering system

CAS number:93-35-6

MDL number:MFCD00006878

EINECS number:202-240-3

RTECS number:GN6820000

BRN number:127683

PubChem number:24889947

Physical property data

1. Characteristics: white needle-like crystals. It smells of coumarin when heated. Can be sublimated.

2. Density (g/mL,25/4℃)：

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

4. Melting point (ºC): 225 -228℃（230 -232℃).

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

6. Boiling point (ºC,0.4kPa): 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 (water): undetermined

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

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

19. Solubility:1gProduct dissolves in approximately100mlBoiling water, easily soluble in ethanol, chloroform, acetic acid, soluble in dilute alkali, slightly soluble in ether. The solution shows blue fluorescence.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index:41.64

2. Molar volume (m³/mol):115.5

3. Isotonic specific volume (90.2K):320.8

4. Surface tension (dyne/cm):59.4

5. Polarizability(10^-24cm³）：16.51

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. ExtensionThe polar surface area of the molecule is 46.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 222

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the 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

None

Storage method

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

Synthesis method

By2,4-Dihydroxyacetophenone and malic acid in the presence of sulfuric acid90-130℃ Condensation removes the acetyl group to obtain umbelliferone.

Purpose

Used as fluorescent indicator and acid-base indicator (pHfor6.5-8.0).

Bis(trifluoroethyltin) sulfate

Structural formula

Business number	018R
Molecular formula	C12H30O4SSn2
Molecular weight	507.81
label	Triethyltin sulfate

Numbering system

CAS number:57-52-3

MDL number:MFCD00048509

EINECS number:200-335-4

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

None

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: 4

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 61

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 299

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

Storage method

None

Synthesis method

None

Purpose

None

sucrose

Structural formula

Business number	018Q
Molecular formula	C12H22O11
Molecular weight	342.3
label	α-D-Glc-(1→2)-β-D-Fru, D(+)-Saccharose,Sucrose, Sugar, Saccharose, beet sugar, granulated sugar; white granulated sugar; soft white sugar, β-D-Fructofuranosyl-α-D-glucopyranoside, α-D-Glucopyranosyl β-D-fructofuranoside, Cane sugar, Genetic engineering research reagents

Numbering system

CAS number:57-50-1

MDL number:MFCD00006626

EINECS number:200-334-9

RTECS number:WN6500000

BRN number:90825

PubChem number:24899768

Physical property data

1. Properties: Colorless monoclinic wedge-shaped crystals, white particles or crystalline powder. Sweet and hygroscopic

2. Relative density (g/mL, 25/4℃): 1.587

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

4. Melting point (ºC): 185~187

5. Crystal phase standard combustion heat (enthalpy) (kJ·mol^-1): -5640.4

6. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -2226.1

7. Refractive index : Undetermined

8. Flash point (ºC): Undetermined

9. Specific 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 Determined

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: Easily soluble in water, slightly soluble in ethanol, insoluble in organic solvents such as ether and ethyl ester. .

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 70.85

2. Molar volume (cm³/mol): 192.8

3. Isotonic specific volume (90.2K): 628.7

4. Surface Tension (dyne/cm): 113.0

5. Polarizability (10^-24cm³): 28.09

Compute chemical data

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

2. Number of hydrogen bond donors: 8

3. Number of hydrogen bond acceptors: 11

4. Number of rotatable chemical bonds: 5

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 190

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 395

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 9

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bond positions Number of stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Storage method

Packaging in food-grade plastic bags and woven bags. Store in a cool and dry place.

Synthesis method

1. A large amount of sucrose comes from cane sugar and beet. Sugar cane contains about 15-20% sucrose, and beet contains 10-17%. There are also different contents in various other fruits, seeds, leaves, flowers, and roots. Squeeze out the liquid from sugar cane or extract sugar juice from sliced beets with water. Use lime clarification method or combined with sulfurous acid filling method to remove impurities in the sugar juice. After filtration, vacuum evaporate the filtrate to thicken, recrystallize and separate to obtain jaggery, and then Refined sugar is obtained through decolorization and recrystallization.

2.Dissolve ordinary sucrose in water, filter, and then evaporate under reduced pressure. Pure product available.

Purpose

1. Sucrose is the most commonly used sweetener. The annual production and consumption of sucrose in the world is about 80 million to 100 million tons. It can also be used as chemical raw materials, such as the synthesis of sucrose lipids, etc.

2. Used for the preparation of analytical reagents and biological nutrients.

3. Sucrose is the most common edible sugar and is also used to make citric acid, caramel, invert sugar, transparent soap, etc. , sucrose can inhibit bacterial growth at high concentrations and is used in medicine as a preservative, antioxidant and tablet excipient.

D-Fructose

Structural formula

Business number	018P
Molecular formula	C6H12O6
Molecular weight	180.16
label	Fructose; D-levulose; D-arabinohexose, Fruit sugar, D-Levulos, sweetener

Numbering system

CAS number:57-48-7

MDL number:MFCD00148910

EINECS number:200-333-3

RTECS number:LS7120000

BRN number:1239004

PubChem ID:None

Physical property data

1. Properties: white rhombic prism crystals or crystalline powder. It exists in both furanose and pyranose forms. Sugar has the sweetest taste. Very easy to deliquesce.

2. Density (g/mL, 25/4℃): 1.60

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

4. Melting point (ºC): 103~105℃ (decomposition)

5. Crystal phase standard combustion heat (enthalpy) (kJ·mol^-1): -2810.4

6. Crystal phase standard claimed heat (enthalpy) (kJ·mol^-1): -1265.6

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): [α]D20 -132°→-92° (C=2)

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. 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: Easily soluble in water, hot acetone, 1g product Soluble in 15ml ethanol, 14ml methanol, soluble in pyridine, ethylamine and methylamine, slightly soluble in cold acetone.

Toxicological data

1. Acute toxicity: rabbit intravenous LD50: 15mg/kg 2. Other multiple dose toxicity: rat oral TDLo: 119mg/kg/14D-I

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 37.15

2. Molar volume (cm³/mol): 102.4

3. Isotonic specific volume (90.2K): 317.1

4. Surface tension (dyne/cm)��91.8

5. Polarizability (10^-24cm³): 14.73

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -3.2

2. Number of hydrogen bond donors: 5

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 6

6. Topological molecular polar surface area (TPSA): 118

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 147

10. Isotopes Number of atoms: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

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

Synthesis method

1. Industrial large-scale production uses starch hydrolysis to produce glucose, which is converted into invert sugar by immobilized glucose isomerase, which contains 42% fructose and 58% glucose. After its separation, fructose is obtained.

Purpose

1. For biochemical and microbiological research. Determination of boric acid.

2.Fructose can directly supply heat energy, replenish body fluids and nourish the whole body, and is easier to absorb and utilize than glucose. In addition to being used as medicine, it is also used in high-end candies and beverages. Used as a sweetener in gargles.

Physostigmine

Structural formula

Business number	018N
Molecular formula	C15H21N3O2
Molecular weight	275.35
label	Eserine

Numbering system

CAS number:57-47-6

MDL number:MFCD00151090

EINECS number:200-332-8

RTECS number:TJ2100000

BRN number:91230

PubChem number:24277867

Physical property data

1. Character: Colorless rhombic prism or flake crystal.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):105~106℃ (there are also unstable low-melting point products, as 86～87℃)

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 ]D17 －76°（C＝1.3, in chloroform), [α]D25 －120°（C＝1, in benzene )

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

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

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

13. Burning Heat (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient for water: undetermined

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

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

19. Solubility: Soluble in ethanol, benzene, chloroform and oil, slightly soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 77.18

2. Molar volume (m³/mol）：236.0

3. isotonic specific volume (90.2K):602.3

4. Surface Tension (dyne/cm):42.3

5. Polarizability(10^-24cm³): 30.59

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 44.8

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 403

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

None

Storage method

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

Synthesis method

Physostigmine can be extracted from physostigmine seeds and processed with salicylic acid. It can also be synthesized artificially.

Purpose

Biochemical research. It can inhibit cholinesterase and excite smooth muscle and striated muscle. It can narrow pupils and reduce intraocular pressure, and is mainly used for glaucoma. The effect is stronger and more durable than pilocarpine.

Tetramethylammonium hydroxide

Structural formula

Business number	01JU
Molecular formula	C4H13NO
Molecular weight	91.05
label	N,N,N-Trimethylmethanaminium Hydroxide, (CH3)4N(OH)

Numbering system

CAS number:75-59-2

MDL number:MFCD00008280

EINECS number:200-882-9

RTECS number:PA0875000

BRN number:3558708

PubChem number:24866695

Physical property data

1. Properties: It has a certain smell of ammonia, is highly alkaline, and easily absorbs CO2 in the air. It is usually made into 10% or 25% aqueous solution. Tetramethylammonium hydroxide containing 5 molecules of crystal water is colorless. Deliquescent needle crystals. When heated to the boiling point, it easily decomposes into trimethylamine and methanol, with a specific gravity of 1.00 (25/4°C).

2. Density (g/mL, 25/4℃): 1.016

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

4. Melting point (ºC): 62-71°C.

5. Boiling point (ºC, normal pressure): 120℃

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

7. Refractive index: 1.3806

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition Temperature (ºC): Uncertain

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

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

19. Solubility: Soluble in water, ethanol, etc.

Toxicological data

1. Acute toxicity

Mouse subcutaneous LD50: 19mg/kg

Rabbit intravenous LD50: 1mg/kg

Pig skin LD50: 25mg/kg

Frog gastrointestinal LDL0: 5mg/kg

Frog LDL0: 1515 ug/kg

Main irritant effects:

On skin: Causes corrosive effects on skin and mucous membranes.

On eyes: Strong corrosive effects

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.

Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Hazardous to organic matter in water

�Excessive discharge into rivers and sewers can cause an increase in ph value. Excessively high ph value is harmful to organic matter in the water.

Concentration dilution during use can greatly reduce the ph value, thereby reducing Hazards to water caused by product discharge

Molecular structure data

None

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 19.1

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: 2

Properties and stability

None

Storage method

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

Synthesis method

None

Purpose

In terms of silicone, it can be used as catalysts for dimethyl silicone oil, benzyl silicone oil, silicone diffusion pump oil, solvent-free silicone molding compound, silicone resin, silicone rubber, etc. In terms of analysis, it is used as a polarographic reagent and in product purification as an ashless alkali to precipitate many metal elements. In the production of organic silicon wafers, it is often used as a brightener, cleaning agent and contact agent for computer silicon wafer surfaces. This product is a catalyst in organosilicon polymerization. Its advantages are: it is strongly alkaline and stable at temperatures that do not exceed the decomposition point. When it exceeds the decomposition point, it quickly decomposes into trimethylamine and methanol. When the catalysis is completed, it is easy to remove without leaving any residue. No pollution to silicone products. Therefore, it is also called a “temporary catalyst”. It can be used in polarographic tests and to precipitate hydrides of many elements that do not contain ash.