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
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