Ethyl 3-phenyloxiranecarboxylate Ethyl 3-phenylglycidate
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