Mesitol

C₉H₁₂OCAS 527-60-6136.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂O
Molar mass: 136.19 g/mol
Exact mass: 136.0888 Da
Melting point: 73 °C
Boiling point: 220 °C
pKa: 10.88 (25 °C)
logP: 2.32Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage79.4% of notifiers
H315 Causes skin irritation20.6% of notifiers
H318 Causes serious eye damage44.8% of notifiers
H335 May cause respiratory irritation22.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure22.2% of notifiers
H411 Toxic to aquatic life with long lasting effects42.3% of notifiers

Aggregated from 194 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, P501

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'-Tetramethylbiphenyl-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 4,4'-Methylenebis(2,6-dimethylphenol)5384-21-457 % 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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