3-Methylbenzyl alcohol
Properties
- Molecular formula
- C8H10O
- Molar mass
- 122.17 g/mol
- Exact mass
- 122.0732 Da
- Melting point
- below −20 °C
- Boiling point
- 215.5 °C
- logP
- 1.49Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed14.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 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
587-03-1SMILES
Cc1cccc(CO)c1InChIKey
JJCKHVUTVOPLBV-UHFFFAOYSA-NInChI
InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzenemethanol, 3-methyl-
- Benzyl alcohol, m-methyl-
- 3-Methylbenzenemethanol
- m-Methylbenzyl alcohol
- m-Tolylmethanol
- m-Tolualcohol
- NSC 9397
- (3-Methylphenyl)methanol
Work with 3-Methylbenzyl alcohol
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
1,3-Benzenedimethanol626-18-665 % similar
3-Methylbenzeneethanol1875-89-464 % similar
3,5-Dimethylbenzyl alcohol27129-87-960 % similar
1-Ethyl-3-methylbenzene620-14-459 % similar
3-Methylbenzylamine100-81-257 % similar
3-Methylbenzyl bromide620-13-357 % similar
3-Methylbenzyl chloride620-19-957 % similar
3-Biphenylmethanol69605-90-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.