Compound: 77-83-8
SMILES: O=C(OCC)C1OC1(c2ccccc2)C
InChIKey: LQKRYVGRPXFFAV-UHFFFAOYSA-N
Synonyms: 77-83-8, Ethyl 3-methyl-3-phenylglycidate, ETHYL METHYLPHENYLGLYCIDATE, Strawberry aldehyde, Aldehyde C-16, EMPG, Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester, C-16 aldehyde, Aldehyde C16, Ethyl(methylphenyl)glycidate, Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate, FEMA No. 2444, 3-Methyl-3-phenylglycidic acid, ethyl ester, Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate, Ethyl alpha,beta-epoxy-beta-methylphenylpropionate, Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester, DTXSID8020591, alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester, UD51D5KR4A, DTXCID60591, Hydrocinnamic acid, alpha,beta-epoxy-beta-methyl-, ethyl ester, NSC-27905, RefChem:921262, 201-061-8, ethyl 3-methyl-3-phenyloxirane-2-carboxylate, Fraeseol, 3-Methyl-3-phenylglycidic acid ethyl ester, Ethyl-3-methyl-3-phenylglycidate, Ethyl 2,3-epoxy-3-phenylbutyrate, Phenylmethylglycidic ester, MFCD00022338, Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid, Ethyl 3-methyl-3-phenyloxiranecarboxylate, 2,3-Epoxy-3-phenylbutyric acid, ethyl ester, Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate, ethyl 3-methyl-3-phenyl-oxirane-2-carboxylate, 3-Methyl-3-phenyloxiranecarboxylic acid, ethyl ester, Ethyl 3-Methyl-3-phenylglycidate (mixture of isomers), 2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester, CAS-77-83-8, CCRIS 2624, HSDB 1150, EINECS 201-061-8, NSC 27905, UNII-UD51D5KR4A, BRN 0012299, Fraise pure, AI3-02458, 3-METHYL-3-PHENYL GLYCIDIC ACID ETHYL ESTER, Ethyl beta-methyl-beta-phenylglycidate, .alpha., ethyl ester, EC 201-061-8, Aldehyde C16 (misleading), 5-18-06-00385 (Beilstein Handbook Reference), SCHEMBL113313, orb3025573, CHEMBL1890407, ethyl-3-methyl-3-phenylglycidat, FEMA 2444, CHEBI:173581, NSC27905, WLN: T3OTJ B1 BR& CVO2, Tox21_201315, Tox21_302960, MSK014231, NSC251076, SBB069504, AKOS003594454, FE40792, Ethyl beta -methyl-beta -phenylglycidate, NCGC00090843-01, NCGC00090843-02, NCGC00256593-01, NCGC00258867-01, AC-13777, Oxiranecarboxylic acid, ethyl ester, cis-, DS-001135, 2,3-Epoxy-3-phenylbutyric Acid Ethyl Ester, E0873, NS00008897, ST45029024, Ethyl 3-methyl-3-phenyl-2-oxiranecarboxylate, 2, 3-Epoxy-3-phenylbutyric acid, ethyl ester, EN300-699658, F88256, cis-3-Methyl-3-phenylglycidic acid, ethyl ester, cis-3-Phenyl-3-methylglycidic acid, ethyl ester, Q411450, 3-methyl-3-phenyl-oxiranecarboxylic acid ethyl ester, Ethyl 3-methyl-3-phenyl-2-oxiranecarboxylate, cis-, Ethyl alpha ,beta -epoxy-beta -methylhydrocinnamate, Ethyl 3-methyl-3-phenylglycidate, >=98%, FCC, FG, ETHYL 3-METHYL-3-PHENYLGLYCIDATE, CIS + TRANS, Ethyl .alpha.,.beta.-epoxy-.beta.-methylhydrocinnamate, F0001-1977, Hydrocinnamic acid,.beta.-epoxy-.beta.-methyl-, ethyl ester, Hydrocinnamic acid, .alpha.,.beta.-epoxy-.beta.-methyl-, ethyl ester, Hydrocinnamic acid,.beta.-epoxy-.beta.-methyl-, ethyl ester, stereoisomer, Hydrocinnamic acid, .alpha.,.beta.-epoxy-.beta.-methyl-, ethyl ester, stereoisomer
Theoretical properties:
molecular_formula: C12H14O3
molecular_weight: 206.24 g/mol
exact_mass: 206.094294304 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 38.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: COLORLESS TO PALE-YELLOW LIQUID
color: COLORLESS TO PALE-YELLOW LIQUID
odor: ON DILUTION, STRONG FRUITY ODOR
boiling_point: 522 to 527 °F at 760 mmHg (NTP, 1992)
density: 1.104 to 1.123 at 68 °F (NTP, 1992)
solubility: Insoluble (<1 mg/ml at 68 °F) (NTP, 1992)
flash_point: greater than 200 °F (NTP, 1992)
Descriptions:
pubchem: Phenylmethylglycidic ester is an epoxide and a carboxylic acid.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cornell 5/8/77 is a live album by the American rock band the Grateful Dead, recorded on May 8, 1977, at Barton Hall, Cornell University, in Ithaca, New York. In 2011, the recording was selected for inclusion in the National Recording Registry of the Library of Congress.