Methyl 5-methylsalicylate
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Density
- 1.1673 g/mL (at 0 °C)
- Melting point
- −1 °C
- Boiling point
- 244.5 °C
- logP
- 1.49Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.3% of notifiers
Aggregated from 1,563 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
22717-57-3SMILES
COC(=O)c1cc(C)ccc1OInChIKey
JQYUQKRFSSSGJM-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5,10H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzoic acid, 2-hydroxy-5-methyl-, methyl ester
- 2,5-Cresotic acid, methyl ester
- 2-Hydroxy-5-methylbenzoic acid methyl ester
- Methyl 2-hydroxy-5-methylbenzoate
- NSC 165635
- 2-(Methoxycarbonyl)-4-methylphenol
Work with Methyl 5-methylsalicylate
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 2-hydroxy-p-toluate4670-56-876 % similar
Methyl 2,5-dihydroxybenzoate2150-46-169 % similar
4-Hydroxyisophthalic acid dimethyl ester5985-24-069 % similar
Methyl 5-methoxysalicylate2905-82-065 % similar
Methyl 5-fluoro-2-hydroxybenzoate391-92-465 % similar
Methyl 5-iodosalicylate4068-75-165 % similar
5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-265 % similar
Methyl 5-chloro-2-hydroxybenzoate4068-78-465 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds