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
