Ethyl 3-phenylglycidate

C11H12O3CAS 121-39-1192.21 g/mol

Open in Covalent MOL file
OOO
EpoxideEsterEther

Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
Density
1.1023 g/mL (at 20 °C)
Melting point
17–18 °C
Boiling point
128–130 °C (at NaN Torr)
Flash point
93.3 °C
Water solubility
slightly soluble
logP
1.69Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,593 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
121-39-1
SMILES
CCOC(=O)C1OC1c1ccccc1
InChIKey
GOMAKLPNAAZVCJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

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Names and synonyms

8 names
  • 2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester
  • Glycidic acid, 3-phenyl-, ethyl ester
  • Oxiranecarboxylic acid, 3-phenyl-, ethyl ester
  • Ethyl α,β-epoxyhydrocinnamate
  • Ethyl phenylglycidate
  • Ethyl 2,3-epoxy-3-phenylpropionate
  • Ethyl 3-phenyl-2-oxiranecarboxylate
  • NSC 8899

Work with Ethyl 3-phenylglycidate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl α-chlorobenzeneacetate4773-33-567 % similar Diethyl phenylmalonate83-13-666 % similar Ethyl α-acetylbenzeneacetate5413-05-862 % similar (-)-Ethyl mandelate10606-72-161 % similar L-(+)-Mandelic acid ethyl ester13704-09-161 % similar Ethyl α-bromobenzeneacetate2882-19-161 % similar (±)-Ethyl mandelate4358-88-761 % similar (±)-Ethyl mandelate774-40-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one22776-09-6

Elsewhere

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