chempirical

4-Methylbenzyl alcohol

C8H10OCAS 589-18-4122.17 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C8H10O
Molar mass
122.17 g/mol
Exact mass
122.0732 Da
Density
1.0194 g/mL (at 20 °C)
Melting point
61.5 °C
Boiling point
217 °C
Water solubility
1–10 g/L (21.5 °C)
logP
1.49Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 287 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
589-18-4
SMILES
Cc1ccc(CO)cc1
InChIKey
KMTDMTZBNYGUNX-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3

Weigh it out

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Names and synonyms

13 names · show all
  • Benzenemethanol, 4-methyl-
  • Benzyl alcohol, p-methyl-
  • 4-Methylbenzenemethanol
  • p-Tolylcarbinol
  • p-Methylbenzyl alcohol
  • 4-(Hydroxymethyl)toluene
  • p-Toluyl alcohol
  • p-Tolualcohol
  • (4-Methylphenyl)methanol
  • p-Toluic alcohol
  • (4-Tolyl)methanol
  • p-Tolylmethanol
  • NSC 3992

Reactions

Work with 4-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

1,4-Benzenedimethanol589-29-767 % similar 4-Methylbenzeneethanol699-02-561 % similar 1,2-Bis(4-methylphenyl)ethane538-39-660 % similar 3,5-Dimethylbenzyl alcohol27129-87-957 % similar 3-Methylbenzyl alcohol587-03-154 % similar 4-Ethyltoluene622-96-852 % similar Gastrodigenin623-05-252 % similar Benzyl alcohol100-51-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methylanisole100-84-5 Ethyl phenyl ether103-73-1 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 Dimethylphenol1300-71-6 1-Phenylethanol13323-81-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook