3-Phenylpropyl Acetate 3-Phenylpropyl Acetate
Structural formula
| Business number | 03FE |
|---|---|
| Molecular formula | C11H14O2 |
| Molecular weight | 178.23 |
| label |
3-phenylpropyl acetate, Phenylpropyl acetate, 3-Phenylpropyl acetate, 3-phenyl-1-propyl acetate, 3-phenylpropyl acetate, 3-Acetoxypropyl)benzene, 1-Propanol, 3-phenyl-, acetate, 3-Acetoxy-1-phenylpropane, 3-phenyl-1-propanoacetate, Benzenepropanol,acetate, Benzenepropyl acetate, food additives, Flavor enhancer |
Numbering system
CAS number:122-72-5
MDL number:MFCD00026216
EINECS number:204-569-8
RTECS number:UB9000000
BRN number:None
PubChem number:24901378
Physical property data
1. Density (g/mL ,25℃）：1.012
2. Refractive index (nD20): 1.496
3. Melting point (℃):-60
4. Boiling point (ºC): 252.3
Toxicological data
1, acute toxicity: rat oral LD50: 4700mg/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 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. 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: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 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 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
None yet
Purpose
None yet
= ST1 />– 24cm3)：
7. Polarizability: 20.40
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: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 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 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
None yet
Purpose
None yet