structural formula
| business number | 03dg |
|---|---|
| molecular formula | c11h12o3 |
| molecular weight | 192.21 |
| label |
3-phenyloxiranecarboxylic acid ethyl ester, 3-phenyl-2,3-epoxypropionic acid ethyl ester, 3-phenyl-glycidyl ethyl ester, 3-phenylglycidyl ethyl ester, cis +trans, ethyl 3-phenylglycidate, cis + trans, 90+%, ethyl benzene glycidyl propionate, ethyl phenylglycidate, 3-phenyl-glycidicacythylester, 3-phenyl-oxiranecarboxylicaciethylester, ethyl 2,3-epoxy-3-phenylpropionate, ethyl 3-phenyl-2-oxiranecarboxylate, ethyl alpha,beta-epoxy-alpha-phenylpropionate, ethyl alpha,beta-epoxyhydrocinnamate, ethyl2,3-epoxy-3-phenylpropion, food additives, flavor enhancer |
numbering system
cas number:121-39-1
mdl number:mfcd00005123
einecs number:204-467-3
rtecs number:mb4970000
brn number:none
pubchem number:24901099
physical property data
1. boiling point (ºc): 96
toxicological data
1, acute toxicity: rat oral ld50: 2300mg/kg
2, mutagenicity: salmonella mutation testing system: 1g/l
mouse body deformation test system: 103mg/l
hamster ovary microbiota mutation analysis test system: 103mg/l
hamster mammalian somatic mutation testing system: 103mg/l
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 50.85
2. molar volume（m3/ mol）：162.5
3. isotonic ratio（90.2k）：416.2
4. surface tension（dyne/cm）：42.9
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. 3. isotonic ratio （90.2k）：416.2
4. surface tension（dyne/cm）：42.9
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 20.16
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.7
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 38.8
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 209
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 2
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
storage method
none
synthesis method
none
purpose
none
idi-font-family: arial”>polarizability:20.16
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.7
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 38.8
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 209
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 2
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
storage method
none
synthesis method
none
purpose
none
