2,4-Dimethylbenzyl alcohol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Melting point
- 22 °C
- Boiling point
- 232 °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
16308-92-2SMILES
Cc1ccc(CO)c(C)c1InChIKey
QUIMJTKRVOBTQN-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzenemethanol, 2,4-dimethyl-
- Benzyl alcohol, 2,4-dimethyl-
- 2,4-Dimethylbenzenemethanol
- (2,4-Dimethylphenyl)methanol
Work with 2,4-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
2,5-Dimethylbenzyl alcohol53957-33-870 % similar
1,3-Dimethyl-4-ethylbenzene874-41-961 % similar
(4-Bromo-2-methylphenyl)methanol17100-58-260 % similar
2,4-Dimethylbenzyl chloride824-55-559 % similar
2,4-Dimethylbenzenemethanamine94-98-459 % similar
2,4-Dimethylphenethylamine76935-60-955 % similar
2,4,6-Trimethylbenzyl alcohol4170-90-554 % similar
2-Methylbenzyl alcohol89-95-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.