chempirical

Ethyl 2-methylbenzoate

C10H12O2CAS 87-24-1164.20 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Melting point
below −10 °C
Boiling point
227 °C
logP
2.17Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
87-24-1
SMILES
CCOC(=O)c1ccccc1C
InChIKey
SOUAXOGPALPTTC-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/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, 2-methyl-, ethyl ester
  • o-Toluic acid, ethyl ester
  • Ethyl o-toluate
  • Ethyl o-methylbenzoate
  • NSC 29048
  • 2-Methylbenzoic acid ethyl ester

Work with Ethyl 2-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

Diethyl phthalate84-66-276 % similar Ethyl 2-iodobenzoate1829-28-368 % similar Ethyl 2-bromobenzoate6091-64-165 % similar Ethyl salicylate118-61-663 % similar Ethyl o-fluorobenzoate443-26-563 % similar Ethyl 2-ethoxybenzoate6290-24-063 % similar Ethyl o-chlorobenzoate7335-25-363 % similar Ethyl 2-aminobenzoate87-25-263 % 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 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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