Basic information
- CAS
56630-76-3- Standard SMILES
CCOC(=O)C1(CC)OC1(C)c1ccccc1- InChIKey
MNSJAWVIQMGRPA-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester
- IUPAC
- ethyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
- English name
- 2-Ethyl-3-methyl-3-phenyl-2-oxiranecarboxylic acid ethyl ester
- Molecular formula
- C14H18O3
- Molecular weight
- 234.29
Names & synonyms
56630-76-3Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl esterRefChem:477586SCHEMBL18338919MNSJAWVIQMGRPA-UHFFFAOYSA-N2-Ethyl-3-methyl-3-phenyl-2-oxiranecarboxylic acid ethyl esterAKOS017548232DB-314003ethyl 2-ethyl-3-methyl-3-phenyl glycidateEthyl 2-ethyl-3-methyl-3-phenyl-2-oxiranecarboxylate #2-Ethyl-3-methyl-3-phenyloxirane-2-carboxylic acid ethyl ester
Database identifiers
- CAS
56630-76-3- PubChem CID
- 569008
- Nikkaji
- J104.291B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Boiling point
- 296.1 · 296.1±30.0 °C(Predicted)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- Substances Added to Food (formerly EAFUS)
- ETHYL ALPHA-ETHYL-BETA-METHYL-BETA-PHENYLGLYCIDATE
- FDA UNII
- 150 T1N4DFJ · 150T1N4DFJ
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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