2-Phenylethyl propionate 2-Phenylethyl propionate
Structural formula
| Business number | 03FD |
|---|---|
| Molecular formula | C11H14O2 |
| Molecular weight | 178.23 |
| label |
2-phenylethyl propionate, phenethyl propionate, 2-Phenylethylpropionate, Fema 2867, Fema 3867, Beta Phenyl Ethyl Propionate, B-Phenylethyl Propionate, 2-Phenylethyl Propionate, Phenethyl Propionate, Phenyl Ethyl Propionate, 2-Phenethyl propionate, food additives, Flavor enhancer |
Numbering system
CAS number:122-70-3
MDL number:MFCD00027008
EINECS number:203-013-1
RTECS number:AJ3255000
BRN number:None
PubChem number:24901359
Physical property data
None yet
Toxicological data
1, acute toxicity: rat oral LD50: 4gm/kg
Rabbit skinLD50：>5gm/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index:51.47
2. Molar volume（m3/ mol）：175.2
3. isotonic ratio（90.2K）：427.9
4. Surface Tension(dyne/cm)：35.5
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 20.40
Compute chemical data
1. Hydrophobic parameters Calculate reference value (XlogP）：2.8
2. Hydrogen Bonding Number of donors: 0
3. Hydrogen Bonding Number of receptors: 2
4. Number of rotatable chemical bonds: 5
5. Interchange Number of isomers:
6. Topological molecules Polar surface area (TPSA）：26.3
7. Heavy atoms Quantity: 13
8. Surface charge ：0
9. Complexity ：148
10. Number of isotope atoms:0
11. Determine the number of atomic stereocenters:0
12. Uncertain number of 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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Number of isotope atoms:0
11. Determine the number of atomic stereocenters:0
12. Uncertain number of 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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
