3,5-Dimethylbenzyl alcohol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Boiling point
- 219.5 °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 irritation50% of notifiers
- H319 Causes serious eye irritation50% 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
27129-87-9SMILES
Cc1cc(C)cc(CO)c1InChIKey
IQWWTJDRVBWBEL-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenemethanol, 3,5-dimethyl-
- Benzyl alcohol, 3,5-dimethyl-
- 3,5-Dimethylbenzenemethanol
- (3,5-Dimethylphenyl)methanol
- 1-(Hydroxymethyl)-3,5-dimethylbenzene
Work with 3,5-Dimethylbenzyl 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
3-Methylbenzyl alcohol587-03-160 % similar
1,3,5-Benzenetrimethanol4464-18-058 % similar
(5-Methylpyridin-3-yl)methanol102074-19-158 % similar
4-Methylbenzyl alcohol589-18-457 % similar
2,4,6-Trimethylbenzyl alcohol4170-90-552 % similar
Mesitylene108-67-850 % similar
3,5-Dimethylbenzyl bromide27129-86-850 % similar
3,5-Dimethylbenzyl chloride2745-54-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.