Toluene diisocyanate manufacturer Knowledge Phenylethyl phenylacetate 2-Phenylethyl phenyl acetate

Phenylethyl phenylacetate 2-Phenylethyl phenyl acetate

Phenethyl phenylacetate structural formula

Structural formula

Business number 02LS
Molecular formula C16H16O2
Molecular weight 240.30
label

2-Phenylethyl phenylacetate,

Benzyl carbinyl phenylacetate,

C6H5CH2CO2CH2CH2C6H5

Numbering system

CAS number:102-20-5

MDL number:MFCD00022049

EINECS number:203-013-1

RTECS number:AJ3255000

BRN number:None

PubChem number:24901358

Physical property data

1. Characteristics: 26below It is a white crystal, 26The above is a colorless to light yellow liquid.


2. Density (g/mL,25): 1.082


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


4. Melting point (ºC): 28


5. Boiling point (ºC,normal pressure):325


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


7. Refractive index:1.55


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (mmHg,20.2ºC): Undetermined


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


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


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. oil and water (�The logarithmic value of the partition coefficient for alcohol/water): Undetermined


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


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


19. Solubility:Insoluble in water, soluble in ethanol.

Toxicological data

Acute toxicity: Rat oral LD50: 15mg/kg;
Mice orally LD503190mg/kg;
Guinea pigs orally LD503190mg/kg;

Ecological data

None yet

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: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 238

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

None yet

Synthesis method

It is formed by the esterification of phenylacetic acid and phenylethyl alcohol in the presence of sulfuric acid; it can also be used in hydrogen chloride gas Derived from direct esterification in the presence of

Purpose

Used as a fixative for the preparation of honey, cherry, almond and other flavors

Number: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: None

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 238

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenter Number of stereocenters: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Total Number of price key units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

It is formed by the esterification of phenylacetic acid and phenylethyl alcohol in the presence of sulfuric acid; it can also be used in hydrogen chloride gas Derived from direct esterification in the presence of

Purpose

Used as a fixative for the preparation of honey, cherry, almond and other flavors

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/23990

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