Ethyl 3-methylbenzoate

C₁₀H₁₂O₂CAS 120-33-2164.20 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

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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 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

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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