Phenylethyl phenylacetate 2-Phenylethyl phenyl acetate
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: 26℃below It is a white crystal, 26℃ The 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 LD50：3190mg/kg;
Guinea pigs orally LD50：3190mg/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