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Substance Name: Ethyl methylphenylglycidate
RN: 77-83-8
UNII: UD51D5KR4A
InChIKey: LQKRYVGRPXFFAV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H14-O3

Molecular Weight

  • 206.2396
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-3-phenyloxiranecarboxylic acid, ethyl ester
  • Ethyl 3-methyl-3-phenyloxiranecarboxylate
  • Ethyl methylphenylglycidate
  • Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester

Synonyms

  • 2,3-Epoxy-3-phenylbutyric acid, ethyl ester
  • 3-Methyl-3-phenylglycidic acid ethyl ester
  • 5-18-06-00385 (Beilstein Handbook Reference)
  • AI3-02458
  • Aldehyde C-16
  • alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester
  • BRN 0012299
  • Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester
  • C-16 aldehyde
  • CCRIS 2624
  • EC 201-061-8
  • EINECS 201-061-8
  • EMPG
  • Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate
  • Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate
  • Ethyl 3-methyl-3-phenylglycidate
  • Ethyl 3-methyl-3-phenyloxiranecarboxylate
  • Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate
  • Ethyl alpha,beta-epoxy-beta-methylphenylpropionate
  • Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid
  • Ethyl methylphenylglycidate
  • Ethyl(methylphenyl)glycidate
  • FEMA No. 2444
  • Fraeseol
  • HSDB 1150
  • Hydrocinnamic acid, alpha,beta-epoxy-beta-methyl-, ethyl ester
  • NSC 27905
  • Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester
  • Strawberry aldehyde
  • UNII-UD51D5KR4A

Systematic Names

  • 2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester
  • 3-Methyl-3-phenylglycidic acid, ethyl ester
  • Ethyl 2,3-epoxy-3-phenylbutyrate
  • Hydrocinnamic acid, alpha,beta-epoxy-beta-methyl-, ethyl ester
  • Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester

Superlist Name

  • Ethyl 3-methyl-3-phenylglycidate

Registry Numbers

CAS Registry Number

  • 77-83-8

FDA UNII

  • UD51D5KR4A

Other Registry Number

  • 1322-04-9

System Generated Number

  • 0000077838

Structure Descriptors

InChI

1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3

InChIKey

LQKRYVGRPXFFAV-UHFFFAOYSA-N

Smiles

CCOC(=O)C1C(O1)(C)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 4050mg/kg (4050mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral 5470mg/kg (5470mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 273.5 deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Atmospheric OH Rate Constant 6.69E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.