chempirical

Ethyl p-tolylacetate

C11H14O2CAS 14062-19-2178.23 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Boiling point
72–74 °C (at 0.9 Torr)
logP
2.10Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
14062-19-2
SMILES
CCOC(=O)Cc1ccc(C)cc1
InChIKey
BTRGZBIXPLFVNK-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

Weigh it out

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Names and synonyms

9 names
  • Benzeneacetic acid, 4-methyl-, ethyl ester
  • Acetic acid, p-tolyl-, ethyl ester
  • p-Tolylacetic acid ethyl ester
  • Ethyl (4-methylphenyl)acetate
  • Ethyl 4-methylbenzeneacetate
  • Ethyl α-(p-tolyl)acetate
  • NSC 46878
  • Ethyl 2-(p-tolyl)acetate
  • 4-Methylbenzeneacetic acid ethyl ester

Work with Ethyl p-tolylacetate

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

p-Chlorophenylacetic acid ethyl ester14062-24-968 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-068 % similar Ethyl 4-hydroxyphenylacetate17138-28-268 % similar Ethyl p-methoxyphenylacetate14062-18-166 % similar Ethyl 4-pyridineacetate54401-85-365 % similar p-Tolylacetic acid methyl ester23786-13-264 % similar Ethyl p-nitrophenylacetate5445-26-159 % similar Ethyl 3,4-dimethoxybenzeneacetate18066-68-756 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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