3,4-Dimethylbenzyl alcohol

C9H12OCAS 6966-10-5136.19 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Melting point
61–62 °C
logP
1.80Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
6966-10-5
SMILES
Cc1ccc(CO)cc1C
InChIKey
OKGZCXPDJKKZAP-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzenemethanol, 3,4-dimethyl-
  • Benzyl alcohol, 3,4-dimethyl-
  • 3,4-Dimethylbenzenemethanol
  • 3,4-Dimethylphenylmethanol
  • NSC 18728

Work with 3,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4-Bromo-3-methylphenyl)methanol149104-89-264 % similar 3-Fluoro-4-methylbenzyl alcohol192702-79-764 % similar 3,4-Dimethylbenzyl chloride102-46-556 % similar 3,4-Dimethylbenzenemethanamine102-48-756 % similar 4-Methyl-3-nitrobenzenemethanol40870-59-553 % similar 3-Methyl-4-nitrobenzenemethanol80866-75-753 % similar 3,4-Dimethylphenethylamine17283-14-652 % similar 4-Methylbenzyl alcohol589-18-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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