Ethyl 3-methylbenzoate

C10H12O2CAS 120-33-2164.20 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Boiling point
234 °C
logP
2.17Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
120-33-2
SMILES
CCOC(=O)c1cccc(C)c1
InChIKey
WSJNYOVBJSOQST-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzoic acid, 3-methyl-, ethyl ester
  • m-Toluic acid, ethyl ester
  • Ethyl m-toluate
  • Ethyl m-methylbenzoate
  • 3-Methylbenzoic acid ethyl ester
  • NSC 20009

Work with Ethyl 3-methylbenzoate

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

1,3-Diethyl 1,3-benzenedicarboxylate636-53-377 % similar Ethyl benzoate93-89-069 % similar Ethyl m-chlorobenzoate1128-76-367 % similar Ethyl 3-bromobenzoate24398-88-767 % similar Ethyl 3-fluorobenzoate451-02-567 % similar Ethyl 3-aminobenzoate582-33-265 % similar Ethyl 3-iodobenzoate58313-23-865 % similar Ethyl 3-hydroxybenzoate7781-98-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9 2,5-Dimethylbenzeneacetic acid13612-34-5

Elsewhere

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