Methyl 2,4,6-trimethylbenzoate

C₁₁H₁₄O₂CAS 2282-84-0178.23 g/mol

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Properties

Molecular formula: C₁₁H₁₄O₂
Molar mass: 178.23 g/mol
Exact mass: 178.0994 Da
logP: 2.40Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2282-84-0

SMILES

CC1=CC(=C(C(=C1)C)C(=O)OC)C

InChIKey

PXLABDTXHJPRRH-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O2/c1-7-5-8(2)10(9(3)6-7)11(12)13-4/h5-6H,1-4H3

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Names and synonyms

1 names

2,4,6-Trimethylbenzoic acid methyl ester

Work with Methyl 2,4,6-trimethylbenzoate

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 2,4,6-trimethylbenzoate1754-55-861 % similar Dimesityl ketone5623-45-055 % similar Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate41264-06-654 % similar Atraric acid4707-47-553 % similar 2′,4′,6′-Trimethylacetophenone1667-01-252 % similar 2′,4′,6′-Trimethylacetophenone51885-97-352 % similar Methyl 3,4-dimethylbenzoate38404-42-150 % similar 2,4,6-Trimethylbenzoic acid480-63-750 % 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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