Month: June 2024

Biodegradability Analysis of Dioctyltin Dimercaptoacetate

Dioctyltin dimercaptoacetate (DBT-DOTG), as an organotin compound, is widely used in the field of plastic additives, especially in polyethylene. Used as heat stabilizer in vinyl chloride (PVC) products. However, its biodegradability analysis is crucial to assess its environmental impact and safety, as organotin compounds generally exhibit low biodegradability, which may pose a threat to ecosystems. The following is a comprehensive analysis of the biodegradability of dioctyltin dimercaptoacetate, covering its degradation mechanism, influencing factors, environmental behavior, and potential environmental management countermeasures.

1. Degradation mechanism

The biodegradation of organotin compounds mainly depends on microbial activities, including bacteria, fungi and algae. The degradation process of dioctyltin dimercaptoacetate may involve the following steps:

  • Preliminary metabolism: Microorganisms may attack the bonds between tin atoms and organic ligands through oxidation or reduction reactions, initially decompose organotin compounds, and produce smaller organotin metabolites and inorganic tin ions. .
  • Subsequent transformation: The decomposed organotin fragments may be further degraded into smaller organic molecules by microbial enzymes until they are completely mineralized into carbon dioxide and water, while inorganic tin ions may form insoluble Precipitated or absorbed by microorganisms.
  • Limiting factors: The degradation of organotin compounds is affected by many factors, including microbial species, environmental conditions (such as pH, temperature, oxygen supply), the structure of organotin and the presence of pollutants, etc. .

2. Influencing factors

  • Microbial Diversity: Different types of microorganisms have different degradation capabilities for organotin compounds, and specific microbial communities may have higher degradation efficiency for specific types of organotin.
  • Environmental conditions: Appropriate temperature, pH value and sufficient oxygen supply are conducive to microbial activity, thereby promoting the biodegradation of organotin. Extreme conditions can inhibit microbial activity and reduce degradation rates.
  • Molecular structure: The ligand structure of organotin directly affects its bioavailability and ease of degradation. The dimercaptoacetic acid group may affect its affinity with microbial enzymes and thus the rate of degradation.
  • Coexisting pollutants: Other chemicals present in the environment may compete with organotin for microbial resources, or directly inhibit the degradation activity of microorganisms, such as heavy metal ions, organic pollutants, etc.

3. Environmental Behavior

  • Bioaccumulation and amplification: Due to the fat solubility of dioctyltin dimercaptoacetate, it easily accumulates in organisms and amplifies through the food chain, posing a potential threat to top predators.
  • Persistence and Diffusion: Organotin compounds have a long half-life in the environment and can accumulate in water, soil and sediments, and spread to long-distance areas through water flow and biological migration.

4. Environmental management strategies

  • Development of alternatives: Encourage the development and use of more biodegradable heat stabilizers to reduce reliance on organotin compounds.
  • Strict emission control: Strengthen environmental supervision of the plastics processing industry to ensure that the organotin content in wastewater and exhaust gas is below safety standards.
  • Environmental remediation technology: Use bioremediation, chemical oxidation and other technologies to remove existing organotin pollution in the environment.
  • Risk Assessment and Monitoring: Conduct regular environmental quality monitoring, evaluate the environmental level and bioaccumulation of organotins, and adjust management strategies in a timely manner.
  • Public education and awareness raising: Improve public awareness of the environmental impact of organotin compounds, and promote the rational use of resources and the correct disposal of waste.

Conclusion

Biodegradability analysis of dioctyltin dimercaptoacetate reveals its potential risk in the environment, emphasizing the effective management and management of this class of compounds The importance of control. Through the comprehensive application of scientific environmental management measures, technological innovation and public participation, we can minimize its impact on the ecosystem and promote the sustainable development of the plastic additives industry. Future research should continue to deeply explore its degradation mechanism, develop more efficient and safer alternatives, and optimize existing environmental treatment technologies.

Extended reading:

NT CAT DMDEE

NT CAT PC-5

NT CAT DMP-30

NT CAT DMEA

NT CAT BDMA

DMCHA – Amine Catalysts (newtopchem.com)

Dioctyltin dilaurate (DOTDL) – Amine Catalysts (newtopchem.com)

Polycat 12 – Amine Catalysts (newtopchem.com)

N-Methylmorpholine

4-Formylmorpholine

Environmental Impact Assessment of Dioctyltin Dimercaptoacetate

Dioctyltin dimercaptoacetate (DBT-DOTG), as a kind of organotin compound, plays an important role in plastic additives, especially as Use heat stabilizer. However, the use of any chemical requires consideration of its potential impact on the environment, and dioctyltin dimercaptoacetate is no exception. Environmental impact assessment mainly focuses on the following aspects:

1. Bioaccumulative

Organotin compounds, including dioctyltin dimercaptoacetate, present a risk of bioaccumulation due to their lipid solubility and stability. These substances may be transferred through the food chain, leading to increased concentrations in organisms at higher trophic levels, affecting the health of the ecosystem. Therefore, it is very necessary to strictly control the environmental release of such substances.

2. Toxic effects

Although dioctyltin dimercaptoacetate is less toxic than some other organotin compounds (such as tributyltin TBT), its potential toxic effects on aquatic life still need to be concerned. Research shows that organotin compounds may have adverse effects on the reproduction, growth and development of aquatic organisms such as fish and shellfish, and even lead to gender distortion. Therefore, monitoring concentrations in the environment to ensure that safety thresholds are not exceeded is a necessary measure to protect aquatic ecosystems.

3. Persistence and degradability

Organotin compounds usually have a certain degree of environmental persistence and are not prone to natural degradation. This means that once in the environment, they may remain for long periods of time, increasing their long-term impact on the environment. Assessing the environmental degradation mechanism of dioctyltin dimercaptoacetate and understanding its degradation rate under different environmental conditions is crucial for assessing its environmental risks.

4. Water pollution

Since dioctyltin dimercaptoacetate may enter water bodies through wastewater discharge during production, use and disposal, causing pollution to water quality, research on its migration, transformation and fate in the water environment is the focus of environmental impact assessment. Ensuring that industrial emissions comply with environmental standards and taking effective wastewater treatment measures can minimize their negative impact on the water environment.

5. Soil and sediment pollution

In addition to water bodies, organotin compounds may also enter soil and sediment through sedimentation, affecting soil microbial communities and sediment ecosystems. Assessing their accumulation and ecological effects in these environmental media is key to a comprehensive understanding of their environmental impacts.

6. Substitute development and risk reduction strategies

Given the potential environmental risks of organotin compounds, developing and promoting safer, biodegradable alternatives is an effective way to reduce the environmental burden. At the same time, implementing strict environmental management measures, such as restricting use, establishing recycling systems, and raising public and industry environmental awareness, are also important strategies to reduce the environmental impact of chemicals such as dioctyltin dimercaptoacetate.

In short, the environmental impact assessment of dioctyltin dimercaptoacetate is a complex process that requires comprehensive consideration of its distribution in the environment, toxicity, Degradability and impact on ecosystems in order to develop reasonable risk management measures and promote the sustainable use of chemicals.

Extended reading:

NT CAT DMDEE

NT CAT PC-5

NT CAT DMP-30

NT CAT DMEA

NT CAT BDMA

DMCHA – Amine Catalysts (newtopchem.com)

Dioctyltin dilaurate (DOTDL) – Amine Catalysts (newtopchem.com)

Polycat 12 – Amine Catalysts (newtopchem.com)

N-Methylmorpholine

4-Formylmorpholine

Application of dioctyltin dimercaptoacetate in plastic additives

Dioctyltin dimercaptoacetate (DBT-DOTG), as an efficient heat stabilizer and antioxidant, is widely used in the field of plastic additives. Especially in the processing and modification of polyvinyl chloride (PVC) and other polyolefin materials. Its unique mechanism of action and performance characteristics make it one of the key ingredients to improve the performance and extend the service life of plastic products. The following are several major applications of dioctyltin dimercaptoacetate in plastic additives:

1. Enhanced thermal stability

PVC materials are prone to dehydrochlorination reactions during processing and high-temperature use environments, resulting in material discoloration and reduced mechanical properties. Dioctyltin dimercaptoacetate can effectively capture the free radicals released during the degradation of PVC, prevent or delay this chain reaction, thereby significantly improving the thermal stability of PVC products. This is especially important for plastic products that need to undergo high-temperature processing during the production process, such as wire and cable insulation layers, plastic doors and windows for construction, etc.

2. Improved light stability and weather resistance

Because the dioctyltin dimercaptoacetate structure contains a thiol group, it can absorb and quench ultraviolet energy, reducing the damaging effect of ultraviolet rays on plastics, thereby improving the light stability and weather resistance of the product. This is of great significance for plastic products used outdoors, such as billboards, agricultural films, roofing materials, etc., which can effectively extend their outdoor service life and maintain good appearance and mechanical properties.

3. Improved transparency

In the production of transparent PVC products, dioctyltin dimercaptoacetate is a preferred additive because it can provide the necessary stability and protection while minimizing the impact on the transparency of the material. This is indispensable for products that require a high degree of transparency, such as transparent packaging materials, spectacle lenses, medical equipment, etc.

4. Processing performance optimization

The additive can also improve the processing properties of plastics, such as fluidity, mold release, etc. During processing, dioctyltin dimercaptoacetate can help materials better disperse and fuse, reduce processing defects, and improve production efficiency and product quality.

5. Eco-friendly alternatives

With increasingly stringent environmental regulations, the use of traditional lead salts and some toxic organotin stabilizers is being gradually restricted or banned. As a relatively low-toxic organotin stabilizer, dioctyltin dimercaptoacetate has become an ideal choice to replace these harmful substances and meets the market demand for environmentally friendly materials.

6. Composite Stabilizer Component

In practical applications, dioctyltin dimercaptoacetate is often used in combination with other additives such as phosphites, epoxy compounds, etc. to form a composite stabilizer system to further improve the overall performance and stability of plastic products with a synergistic effect.

In short, dioctyltin dimercaptoacetate plays an important role in the field of plastic additives due to its excellent stability and modification ability. Especially in the modern plastics industry that pursues high performance and environmental protection. However, its potential environmental impacts and human health risks also prompt researchers to continue to explore safer and more sustainable alternatives and technologies.

Extended reading:

NT CAT DMDEE

NT CAT PC-5

NT CAT DMP-30

NT CAT DMEA

NT CAT BDMA

DMCHA – Amine Catalysts (newtopchem.com)

Dioctyltin dilaurate (DOTDL) – Amine Catalysts (newtopchem.com)

Polycat 12 – Amine Catalysts (newtopchem.com)

N-Methylmorpholine

4-Formylmorpholine

Physical and chemical properties of dioctyltin dimercaptoacetate

Dibutyltin bis(isooctylthioglycolate), whose chemical formula is generally abbreviated as DBT-DOTG, is an organic tin compound that is widely used Stabilizer used in polyvinyl chloride (PVC) plastics, especially for the processing of transparent products, has a significant effect. It enables PVC products to maintain their physical and mechanical properties and extend their service life by providing good thermal stability, light stability and anti-aging properties. Below is a detailed description of some of the key physicochemical properties of dioctyltin dimercaptoacetate.

Physical properties

Appearance: Dioctyltin dimercaptoacetate is usually a light yellow to colorless oily liquid. This is due to its organic structural characteristics that allow it to remain liquid at room temperature.

Solubility: This compound has good solubility and is easily soluble in most organic solvents, such as esters, ethers, ketones, alcohols, aliphatic hydrocarbons, aromatic hydrocarbons and commonly used Plasticizer, but insoluble in water. This solubility characteristic is crucial for its use in polymer processing, allowing for uniform dispersion in the PVC matrix.

Density: Its relative density is approximately between 1.055 and 1.075 (measured at 30°C), which means it is lighter than water, helping to achieve uniform dispersion during certain processing processes .

Melting point and boiling point: Due to the fluidity of its molecular structure, dioctyltin dimercaptoacetate does not have a clear melting point, but has a wide solidification range. Its boiling point is relatively high, usually above hundreds of degrees Celsius. The specific value depends on experimental conditions and measurement methods.

Refractive index: The refractive index is between 1.490 and 1.500 (measured at 30°C). This parameter is of great significance for understanding its optical properties and its application in transparent products.

Viscosity: The viscosity of this compound is low, less than 90mPa·s (measured at 30°C), indicating that it has good fluidity and mixing properties during processing.

Chemical properties

Stability: Dioctyltin dimercaptoacetate is relatively stable at room temperature, but may decompose at high temperatures or in a strong alkaline environment. It has some stability to light and heat, but long-term exposure may still cause performance degradation.

Reactivity: The organotin part of this compound is sensitive to moisture in the air and may slowly hydrolyze, releasing free isooctyl thioglycolate. At the same time, the divalent tin ions contained in it can participate in coordination reactions and form stable complexes with a variety of ligands.

Toxicity and Environmental Impact: Although the information mentions “toxicity of toxic substances”, the specific toxicity level and environmental impact need to be determined based on the latest chemical safety data sheet (MSDS). Organotin compounds are generally considered toxic to aquatic life, and long-term exposure may have adverse effects on human health. Therefore, appropriate safety measures should be taken when using and handling to ensure compliance with environmental and occupational safety standards.

Application Features

In PVC processing, dioctyltin dimercaptoacetate is mainly used as a heat stabilizer, which can effectively inhibit adverse reactions caused by thermal degradation of PVC during processing and use, such as color changes and reduced mechanical properties. Its unique thiol group (-SH) provides excellent antioxidant and UV resistance, helping to improve the transparency and weather resistance of products. It is especially suitable for the production of high-end PVC products such as transparent bottles, plates, and sheets.

Conclusion

To sum up, dioctyltin dimercaptoacetate is an efficient heat stabilizer. Its unique physical and chemical properties make it widely used in the PVC industry. In particular, the field of transparent products shows broad application prospects. However, due to its potential environmental and health risks, increasingly strict regulations on its production and use have driven the industry towards research and development of safer and environmentally friendly alternatives. In the future, how to balance performance and sustainability will be an important topic for research in this field.

Extended reading:

NT CAT DMDEE

NT CAT PC-5

NT CAT DMP-30

NT CAT DMEA

NT CAT BDMA

DMCHA – Amine Catalysts (newtopchem.com)

Dioctyltin dilaurate (DOTDL) – Amine Catalysts (newtopchem.com)

Polycat 12 – Amine Catalysts (newtopchem.com)

N-Methylmorpholine</u>

4-Formylmorpholine

Preparation method of dioctyltin dimercaptoacetate

Dioctyltin dimercaptoacetate is an important organotin compound, which is widely used in plastic stabilizers, catalysts and other fields because of its excellent thermal properties. It has attracted much attention due to its stability and good processing performance. Its preparation method usually involves multi-step chemical reactions, and a typical synthesis process will be introduced in detail below.

Initial raw material preparation

The preparation of dioctyltin dimercaptoacetate first requires the preparation of a series of chemical raw materials, mainly including ethanol, concentrated hydrochloric acid, sodium chloride, C7-C8 fatty alcohol (such as isooctyl alcohol), metallic tin, hydrogen chloride gas, methyl acrylate , thioglycolic acid, benzene, 2-ethylisooctyl chloroacetate, ion exchange resin, toluene, carbonate, sodium thiosulfate and water. These raw materials play different roles in the synthesis process, such as providing reactive groups, adjusting the pH value of the reaction medium, and serving as catalysts or solvents.

Overview of preparation steps

1. Synthesis of dioctyltin dichloride

First, dioctyltin dichloride is prepared by reacting dioctyltin with hydrogen chloride in an appropriate solvent. This process is often carried out under heating conditions and requires good stirring to promote complete reaction. After the reaction is completed, pure dioctyltin dichloride is isolated by filtration or distillation.

2. Synthesis of isooctyl thioglycolate

Next, isooctyl thioglycolate is synthesized through a two-step reaction of esterification and thiolation. In the esterification stage, chloroacetic acid and isooctyl alcohol react under the action of a catalyst to form the corresponding ester. Subsequently, thiolation is carried out through the Bunte salt method to convert the ester into thioglycolic acid ester. The yield of the product in this step can reach 91.5%, and the purity reaches 98.5%.

3. Synthesis of bis(isooctyl thioglycolate) di-n-octyltin

The final step is to react dioctyltin dichloride with pre-synthesized isooctyl thioglycolate to form the target product dioctyltin dimercaptoacetate. This step is usually carried out in a four-neck flask equipped with an electric stirrer, constant pressure funnel, thermometer and condenser tube to ensure controllable reaction conditions. Add a suitable solvent to the reaction system and heat it at an appropriate temperature to replace the chlorine atom with the mercapto group of isooctyl thioglycolate to generate the final product.

Post-processing and purification

After completing the above reaction, the product needs to be post-processed and purified. This usually includes precipitation, filtration, washing to remove unreacted materials and by-products, and then further purification by vacuum distillation or column chromatography to obtain high purity dioctyltin dimercaptoacetate.

Safety and environmental considerations

When performing such chemical synthesis, strict laboratory safety practices and personal protective equipment must be worn, as organotin compounds and their precursors can be toxic. In addition, considering environmental protection, waste generated during the synthesis process should be properly disposed of to avoid environmental pollution.

Conclusion

The preparation of dioctyltin dimercaptoacetate is a complex chemical process involving a variety of chemical reactions and operating steps. By precisely controlling the reaction conditions and optimizing the synthesis route, the yield and purity of the product can be effectively improved to meet the demand for high-quality organotin compounds in different application fields. With the advancement of science and technology, more environmentally friendly and efficient synthesis methods are constantly being explored to meet the requirements of sustainable development.

Extended reading:

Extended reading:

NT CAT DMDEE

NT CAT PC-5

NT CAT DMP-30

NT CAT DMEA

NT CAT BDMA

DMCHA – Amine Catalysts (newtopchem.com)

Dioctyltin dilaurate (DOTDL) – Amine Catalysts (newtopchem.com)

Polycat 12 – Amine Catalysts (newtopchem.com)

N-Methylmorpholine

4-Formylmorpholine

Phenylarsinic acid

Phenylarsinic acid structural formula

Structural formula

Business number 02D6
Molecular formula C6H7AsO3
Molecular weight 202.04
label

Ai3-16050[qr],

Arsonicacid,phenyl-,

Arsonicacid,phenyl-[qr],

Kyselinabenzenarsonova,

Monophenylarsonic acid,

Phenylarsenic acid,

Phenyl-arsonicaci,

Phenylarsonic acid[qr]

Numbering system

CAS number:98-05-5

MDL number:MFCD00002097

EINECS number:202-631-9

RTECS number:CY3150000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: White crystalline powder.


2. Density (g/mL,25℃): 1.76


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


4. Melting point (ºC): 160


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


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


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 (mmHg, 55ºC): Undetermined


12. Saturated vapor pressure (kPa, 25 ºC): Not determined


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: Undetermined

Toxicological data

Acute toxicity: Rat oral LD50: 50mg/kg;
 MouseOral LD50：270μg/kg;
-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>Rabbit intravenous injectionLD50:16mg/kg;

Ecological data

It is extremely harmful to water and toxic to fish. Do not let the product enter the water body.

Molecular structure data

None

Compute chemical data

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


2. Number of hydrogen bond donors: 2


3. Number of hydrogen bond acceptors: 3


4. Number of rotatable chemical bonds: 1


5. Number of tautomers:


6. Topological molecular polar surface area (TPSA): 57.5


7. Number of heavy atoms: 10


8. Surface charge: 0


9. Complexity: 145


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


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

Does not decompose under normal temperature and pressure. Avoid contact with oxidants.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and equipment that are prone to sparks
Tools. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

After diazotization of aniline and Arsenous acid reaction is obtained.

Purpose

is used as an analytical reagent.

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neopentyl alcohol

Neopentyl alcohol structural formula

Structural formula

Business number 01K8
Molecular formula C5H12O
Molecular weight 88.15
label

2,2-Methyl-1-propanol,

tert-butylmethanol,

tert-Butyl carbinol,

2,2-Dimethylpropanol,

Neopentanol,

Neopentyl alcohol,

alcohol solvents,

aliphatic compounds

Numbering system

CAS number:75-84-3

MDL number:MFCD00004682

EINECS number:200-907-3

RTECS number:None

BRN number:1730984

PubChem number:24865983

Physical property data

1. Properties: colorless crystals with mint smell.

2. Density (g/mL, 20℃): 0.811

3. Solubility parameter (J·cm-3)0.5 : 19.265

4. Melting point (ºC): 52.5

5. Boiling point (ºC, normal pressure): 113~114

6. van der Waals area (cm2·mol-1): 9.170×109

7. Refractive index ( 50ºC): 1.3915

8. Flash point (ºC, closed): 36

9. van der Waals volume (cm3·mol -1): 62.610

10. Gas phase standard entropy (J·mol-1·K-1): 366.85 p>

11. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -3283.2

12. Liquid phase standard claimed heat (enthalpy) ( kJ·mol-1): -399.4

13. Liquid phase standard entropy (J·mol-1·K-1): 229.3

14. Liquid phase standard free energy of formation (kJ·mol-1): -175.23

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 (%, water, 20ºC): 0.039

20. Dissolution Properties: Slightly soluble in water, miscible with many organic solvents such as alcohols, ethers, ketones, esters and aromatic hydrocarbons, and also miscible with mineral oil and vegetable oil.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 26.71

2. Molar volume (cm3/mol): 108.6

3. Isotonic specific volume (90.2K ):242.9

4. Surface tension (dyne/cm): 25.0

5. Polarizability (10-24cm3) :10.59

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 33.7

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: 1

Properties and stability

1. It has the chemical reactivity of primary alcohols. Highly flammable. When using, avoid inhaling the dust of this product and avoid contact with eyes and skin.

2. Exist in smoke.

Storage method

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

Synthesis method

1. Preparation method:

In a reaction bottle equipped with a stirrer, thermometer, and dropping funnel, add 800g of 30% hydrogen peroxide, cool it in an ice bath, and add dropwise a dilute solution composed of 800g of concentrated sulfuric acid and 310g of crushed ice while stirring and cool it to below 10°C. For sulfuric acid, control it at 5-10°C and finish adding it in about 20 minutes. Then, 224.4g (2.0mol) of 2,4,4-trimethyl-1-pentene (2) was added dropwise, and the addition was completed in 5 to 10 seconds. Remove the ice bath and stir the reaction at 25°C for 24 hours. Separate the organic layer and cool it in an ice bath, add 500g of 70% sulfuric acid dropwise with vigorous stirring, and keep the internal temperature at 15 to 25°C, which will take about 67 to 75 minutes. After the addition is completed, stir at 5 to 10°C for 30 minutes. Leave to stand for 1 to 3 hours, separate the organic layer, pour into 1000 mL of water, and distill under normal pressure (foam may appear, and distillation can be stopped at this time). After cooling the distilled liquid, separate the organic layer, dry it over anhydrous sodium sulfate①, fractionate, collect the fractions between 111 and 113°C to obtain 2,2-dimethyl-1-propanol ②(1) 60～70, yield 34%～40%. Note: ① Dry thoroughly before distillation, otherwise the product will form an azeotrope (80~85℃) with water, which will affect the yield. ② This reaction is similar to the hydrogen peroxide oxidation of ethyl-propyl benzene to produce phenol and acetone. Under acidic conditions, the peroxide is rearranged to produce alcohol and acetone. [1]

Purpose

Solvent, raw material for organic synthesis. ​

extended-reading:https://www.bdmaee.net/dimethylethanolamine/
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Phenyltrimethylammonium iodide

Phenyltrimethylammonium iodide structural formula

Structural formula

Business number 02D5
Molecular formula C9H14IN
Molecular weight 263.12
label

Trimethylphenylammonium iodide,

Phenyltrimethylamine iodide,

(CH3)3N(I)C6H5,

N,n,n-trimethylaniliniumiodide,

N,n,n-trimethyl-benzenaminiuiodide,

N,n,n-trimethylbenzenaminiiumiodide,

N,n-dimethylanilinemethiodide,

Phenyltrimethyl-ammoniodide,

Trimethylanilliniumiodide,

Trimethylphenyl-ammoniuiodide,

Phenyltrimethylammonium iodide

Numbering system

CAS number:98-04-4

MDL number:MFCD00011791

EINECS number:202-630-3

RTECS number:BT2450000

BRN number:3916752

PubChem number:24849650

Physical property data

1. Appearance: white powder.


2. Density (g/mL,25℃): Undetermined


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


4. Melting point (ºC): 227


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


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


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 (mmHg, 55ºC): Undetermined


12. Saturated vapor pressure (kPa, 25 ºC): Not determined


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 upper limit (%,V/V): Undetermined


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


19. Solubility: Undetermined

Toxicological data

Acute toxicity: Mouse peritoneal cavity LD50: 55mg/kg;
-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>Mouse subcutaneous LD50: 85mg /kg;
  MouseIntravenous injectionLD50：5620μg/kg;

Ecological data

This substance is slightly harmful to water.

Molecular structure data

None

Compute chemical data

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


2. Number of hydrogen bond donors: 0


3. Number of hydrogen bond acceptors: 1


4. Number of rotatable chemical bonds: 1


5. Number of tautomers:


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


7. Number of heavy atoms: 11


8. Surface charge: 0


9. Complexity: 95.8


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


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. Covalent bond unit�Quantity: 2

Properties and stability

Avoid contact with oxidants and light.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Store in dark place. Use explosion-proof lighting and ventilation facilities. Do not use sparks easily
machinery, equipment and tools. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

None

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2-naphthyl benzoate

Structural formula of 2-naphthyl benzoate

Structural formula

Business number 0269
Molecular formula C17H12O2
Molecular weight 248.28
label

naphthol benzoate,

Beta-naphthyl benzoate,

2-naphthyl benzoate,

naphthyl benzoate,

2-Naphthylbenzoate,

Benzonaphthol,

β-Naphthyl Benzoate,

2-Naphthyl Benzoate

Numbering system

CAS number:93-44-7

MDL number:MFCD00014320

EINECS number:202-247-1

RTECS number:None

BRN number:2052424

PubChem ID:None

Physical property data

1. Properties: White crystalline powder. The color becomes darker after being left for a long time.

2. The standard heat of combustion (enthalpy) of the crystal phase (kJ·mol-1): -8219.9

3. The standard claim heat of the crystal phase ( Enthalpy) (kJ·mol-1): -184.8

4. Melting point (ºC): 107

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 optical rotation (º): Undetermined

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. Oil and water (octanol/water) Log value of distribution coefficient: Undetermined

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

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

19. Solubility: Easily soluble in hot ethanol, glycerol and chloroform, slightly soluble in ether, almost insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 75.74

2. Molar volume (cm3/mol): 206.9

3. Isotonic specific volume (90.2K ): 548.5

4. Surface tension (dyne/cm): 49.3

5. Polarizability (10-24cm3): 30.02

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): None

2. HydrogenNumber of bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Tautomerism Number of bodies: None

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 306

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. No Determine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of 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 place.

Synthesis method

None

Purpose

Used in organic synthesis. Paraffin hardener.

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2,2-Dimethylbutane

2,2-dimethylbutane structural formula

Structural formula

Business number 01K7
Molecular formula C6H14
Molecular weight 86.18
label

new hexane,

Neohexane,

gasoline additives

Numbering system

CAS number:75-83-2

MDL number:MFCD00009321

EINECS number:200-906-8

RTECS number:EJ9300000

BRN number:1730736

PubChem number:24864699

Physical property data

1. Properties: colorless liquid with a slight odor at room temperature. [1]

2. Melting point (℃): -99.9[2]

3. Boiling point (℃): 49.7[3]

4. Relative density (water = 1): 0.649[4]

5. Relative vapor Density (air=1): 3.0[5]

6. Saturated vapor pressure (kPa): 36.9 (20℃)[6]

7. Heat of combustion (kJ/mol): -4159.5[7]

8. Critical temperature (℃): 216.2[8]

9. Critical pressure (MPa): 3.1[9]

10. Octanol/water partition coefficient: 3.82 [10]

11. Flash point (℃): -47.8 (CC) [11]

12. Ignition temperature ( ℃): 405[12]

13. Explosion upper limit (%): 7.0[13]

14. Explosion Lower limit (%): 1.2[14]

15. Solubility: insoluble in water, soluble in ethanol, ether, acetone, benzene, easily soluble in petroleum ether, tetrachlorine carbon. [15]

16. Flash point (ºC): 425

17. Critical density (g·cm-3) : 0.241

18. Critical volume (cm3·mol-1): 358

19. Critical compression factor: 0.279

20. Eccentricity factor: 0.234

21. van der Waals area (cm2·mol-1): 9.830×109

22. van der Waals volume (cm3·mol-1): 68.240 p>

23. Heat of evaporation (b.p,) (kJ/mol): 26.322

24. Heat of fusion (kJ/mol): 0.5798

25. Heat of generation ( 25 ºC, liquid, constant pressure) / (kJ·mol): -213.53

26. Specific heat capacity (25 ºC, liquid, constant pressure) / [kJ/(kg·K)]: 2.20

p>

27. Total combustion calorific value (KJ/mol): 4121.29

28. Minimum combustion calorific value (KJ/mol): 3842.97

29. Aniline point ( ºC): 81.2

30. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -4175.76

31. Gas phase standard claimed heat (Enthalpy) (kJ·mol-1): -186.10

32. Gas phase standard entropy (J·mol-1·K -1): 358.4

33. Gas phase standard free energy of formation (kJ·mol-1): -9.9

34. Gas phase Standard hot melt (J·mol-1·K-1): 141.5

35. Liquid phase standard combustion heat (enthalpy) (kJ· mol-1): -4148.06

36. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -213.80

37. Liquid phase standard entropy (J·mol-1·K-1): 274.26

38. Liquid phase standard Free energy of formation (kJ·mol-1): -12.80

39. Liquid phase standard hot melt (J·mol-1·K-1)：189.67

Toxicological data

1. Acute poison�� No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No data yet

4. Other harmful effects[16] This substance may be harmful to the environment and should be Pay special attention to contamination of surface water, soil, atmosphere and drinking water.

Molecular structure data

1. Molar refractive index: 29.81

2. Molar volume (cm3/mol): 127.6

3. Isotonic specific volume (90.2K ): 265.9

4. Surface tension (dyne/cm): 18.8

5. Dielectric constant (F/m): 1.88

6. Polar Chemical rate (10-24cm3): 11.81

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: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 29.8

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. The chemical properties are relatively stable, and halogenation reaction occurs under the action of sunlight or ultraviolet light to generate halogen derivatives. During the nitrification reaction, nitro compounds are produced. Solubility: Insoluble in water, miscible with alcohol, ether, acetone, benzene and petroleum ether. The solubility is similar to that of hexane and 2-methylpentane. Steam and air can easily form explosive mixtures, which can cause combustion and explosion when exposed to open flames or high heat.

2. Stability[17] Stability

3. Incompatible substances[18] Strong oxidants, strong acids, strong bases, halogens

4. Polymerization hazards[19] No polymerization

Storage method

Storage Precautions[20] Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 29℃. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Refining method: Unsaturated compounds are removed by washing with concentrated sulfuric acid. Moisture can be removed with calcium chloride, phosphorus pentoxide, metallic sodium or solid desiccant.

Purpose

1. Gas chromatography analysis standards. Agrichemical intermediates. It has a high octane number and can be used as an additive for motor gasoline and aviation gasoline.

2. Used as solvent, additive for aviation gasoline and motor gasoline, also used in organic synthesis and used as gas chromatography comparison sample. [21]

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