chempirical

Ethyl methylphenylglycidate

C12H14O3CAS 77-83-8206.24 g/mol

Open in Covalent MOL file
OOO
EpoxideEsterEther

Properties

Molecular formula
C12H14O3
Molar mass
206.24 g/mol
Exact mass
206.0943 Da
Density
1.0442 g/mL (at 20 °C)
Boiling point
272–275 °C
Water solubility
insoluble
logP
1.86Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 1,918 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number
77-83-8
SMILES
CCOC(=O)C1OC1(C)c1ccccc1
InChIKey
LQKRYVGRPXFFAV-UHFFFAOYSA-N
InChI
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

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Names and synonyms

12 names
  • Fraeseol
  • 2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester
  • Hydrocinnamic acid, α,β-epoxy-β-methyl-, ethyl ester
  • Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester
  • Aldehyde C16
  • Ethyl α,β-epoxy-β-methylhydrocinnamate
  • 3-Methyl-3-phenylglycidic acid ethyl ester
  • Strawberry aldehyde
  • Ethyl 3-methyl-3-phenylglycidate
  • NSC 27905
  • Ethyl 3-methyl-3-phenyloxirane-2-carboxylate
  • FRAISE PURE

Reactions

Work with Ethyl methylphenylglycidate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-phenylisobutyrate2901-13-551 % similar Ethyl α-chlorobenzeneacetate4773-33-551 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-851 % similar (-)-Ethyl mandelate10606-72-150 % similar Ethyl α-bromobenzeneacetate2882-19-150 % similar (±)-Ethyl mandelate4358-88-750 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-850 % similar (±)-Ethyl mandelate774-40-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-2 Ethyl 4-(3-oxopropyl)benzoate151864-81-2 Ethyl (E)-4-methoxycinnamate24393-56-4 4-(P-Acetoxyphenyl)-2-butanone3572-06-3 5-Benzoylvaleric acid4144-62-1 Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-7 Ethyl α-acetylbenzeneacetate5413-05-8 Ethyl α-oxobenzenebutanoate64920-29-2

Elsewhere

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