chempirical

Mesitol

C9H12OCAS 527-60-6136.19 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Melting point
73 °C
Boiling point
220 °C
logP
2.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
527-60-6
SMILES
Cc1cc(C)c(O)c(C)c1
InChIKey
BPRYUXCVCCNUFE-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Phenol, 2,4,6-trimethyl-
  • 2,4,6-Trimethylphenol
  • Mesityl alcohol
  • 2-Hydroxymesitylene
  • 1-Hydroxy-2,4,6-trimethylbenzene
  • Hydroxymesitylene
  • 1,3,5-Trimethylphenol
  • NSC 231851
  • NSC 5353
  • NSC 68321

Work with Mesitol

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-Amino-4,6-dimethylphenol41458-65-567 % similar 3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-165 % similar 2,6-Dimethylhydroquinone654-42-262 % similar 2,4-Dimethyl-6-tert-butylphenol1879-09-062 % similar 4-Iodo-2,6-dimethylphenol10570-67-959 % similar 4-Chloro-2,6-dimethylphenol1123-63-357 % similar 4-Bromo-2,6-dimethylphenol2374-05-257 % similar Tetramethyl bisphenol F5384-21-457 % 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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