2,3-Dimethylbenzenemethanol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Melting point
- 64 °C
- Boiling point
- 125 °C
- logP
- 1.80Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13651-14-4SMILES
Cc1cccc(CO)c1CInChIKey
ZQQIVMXQYUZKIQ-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-7-4-3-5-9(6-10)8(7)2/h3-5,10H,6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzenemethanol, 2,3-dimethyl-
- Benzyl alcohol, 2,3-dimethyl-
- 2,3-Dimethylbenzyl alcohol
- Hemellitol
- NSC 59890
- (2,3-Dimethylphenyl)methanol
Work with 2,3-Dimethylbenzenemethanol
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
2-Methylbenzyl alcohol89-95-265 % similar
3-Amino-2-methylbenzyl alcohol83647-42-162 % similar
3-Bromo-2-methylbenzenemethanol83647-43-262 % similar
2,3-Dimethylbenzylamine51586-20-059 % similar
2-Methyl[1,1′-biphenyl]-3-methanol76350-90-856 % similar
(2,6-Dimethylphenyl)methanol62285-58-956 % similar
1,2,3-Trimethylbenzene526-73-854 % similar
2-Methyl-3-nitrobenzenemethanol23876-13-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.