Methyl 2-hydroxy-p-toluate

C9H10O3CAS 4670-56-8166.18 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Density
1.1621 g/mL (at 0 °C)
Melting point
27.5 °C
Boiling point
243 °C
logP
1.49Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4670-56-8
SMILES
COC(=O)c1ccc(C)cc1O
InChIKey
UITFCFWKYAOJEJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzoic acid, 2-hydroxy-4-methyl-, methyl ester
  • 2,4-Cresotic acid, methyl ester
  • 2-Hydroxy-p-toluic acid methyl ester
  • Methyl 2-hydroxy-4-methylbenzoate
  • 2-Hydroxy-4-methylbenzoic acid methyl ester
  • Methyl 4-methylsalicylate
  • 2-(Methoxycarbonyl)-5-methylphenol
  • 4-Methylsalicylic acid methyl ester

Work with Methyl 2-hydroxy-p-toluate

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

Methyl 5-methylsalicylate22717-57-376 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-469 % similar Methyl 2,4-dihydroxybenzoate2150-47-269 % similar Methyl 2-hydroxy-4-iodobenzoate18179-39-065 % similar Methyl 4-fluorosalicylate392-04-165 % similar Methyl 4-methoxysalicylate5446-02-665 % similar Methyl 2-bromo-4-methylbenzoate87808-49-962 % similar Methyl salicylate119-36-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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