chempirical

3-Methylbenzyl alcohol

C8H10OCAS 587-03-1122.17 g/mol

Open in Covalent MOL file
HO
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

Identifiers

CAS number
587-03-1
SMILES
Cc1cccc(CO)c1
InChIKey
JJCKHVUTVOPLBV-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3

Weigh 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 Benzyl alcohol100-51-654 % 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