Phenyl salicylate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:118-55-8

MDL number:MFCD00002213

EINECS number:204-259-2

RTECS number:VO6125000

BRN number:393969

PubChem number:24888195

Physical property data

1. Properties: colorless crystalline powder with pleasant aromatic smell.

2. Relative density: 1.2614

3. Melting point (ºC): 43

4. Boiling point (ºC, 1.60kpa): 173

5. Flash point (ºC): 160

6. Solubility: Hardly soluble in water, soluble in ethanol, ether, almond oil, benzene and chloroform.

7. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -6200.2

8. Gas phase standard claimed heat (enthalpy) ( kJ·mol^-1): -344.5

9. Crystal phase standard combustion heat (enthalpy) (kJ·mol^-1): – 6108.2

10. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -436.6

11. Crystal phase standard hot melt ( J·mol^-1·K^-1)：160.0

Toxicological data

Low toxicity, rat oral LD50: 1500mg/kg, can be used in acrylic resin products that come into contact with food.

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 59.77

2. Molar volume (cm³/mol): 171.2

3. Isotonic specific volume (90.2K): 459.6

4. Surface tension (dyne/cm): 51.8

5. Polarizability (10-24cm3): 23.69

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: 3

5. Number of tautomers: 4

6.�The polar surface area of ​​the molecule is 46.5

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 233

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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

1. Stable at room temperature and pressure, avoid contact with oxides and moisture.

2. This product has low toxicity, the oral LD50 in rats is 1.5g/kg . The U.S. Food and Drug Administration approves it for use in acrylic resin products that come into contact with food.
　

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. 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.

2. Packed in paper barrels lined with plastic bags. Store and transport according to general chemical regulations.

Synthesis method

1. Put 28kg industrial phenol and 40kg industrial salicylic acid into a dry reaction kettle, heat and melt, and strictly control the temperature (130±2)°C. Slowly drop 16 kg of phosphorus trichloride under stirring to react. After the addition is completed, keep (130±2)°C and stir for 4 hours. After draining the hydrogen chloride generated by the reaction, wash it with twice the hot water of 65°C while it is hot, let it stand for 40 minutes, separate the water layer, and wash it again. Neutralize with 5% sodium bicarbonate solution to pH 8, and then wash with hot water at 65°C until pH is 7. Let it stand, separate the water layer, add about 1 time of distilled water to the oil layer, stir evenly, cool, crystallize, and decolorize with activated carbon to get the finished product.

Purpose

1. Used as ultraviolet absorber, plasticizer, and preservative for plastic products, used in drug synthesis, preparation of flavors, etc. 2. This product is a UV absorber with good compatibility with resin and can be used in polyvinyl chloride, polyvinylidene chloride, polyester, polystyrene, cellulose resin, polyolefin, polyurethane, etc. Used in plastic products, the absorption wavelength range is narrow and the light stability is poor. Also used as a stabilizer for vinyl plastics. It can also be used as a pharmaceutical disinfectant and preservative and in organic synthesis. 3.Can be used in sunscreen cosmetics. Its main function is to filter out a certain amount of ultraviolet rays to protect the skin from rays. The maximum allowable content in cosmetics is 1%. This product has low toxicity. 4. Used to prepare jasmine, lilac and other flavors. It is also a stabilizer, plasticizer, preservative, etc. for vinyl plastics.