Mesitylene

C₉H₁₂CAS 108-67-8120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂
Molar mass: 120.19 g/mol
Exact mass: 120.0939 Da
Density: 0.8637 g/mL (at 20 °C)
Melting point: −44.8 °C
Boiling point: 164.7 °C
Flash point: 50 °C (closed cup)
Water solubility: 48.2 mg/L (25 °C)
logP: 2.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P303+P361+P353, P304+P340, P319, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

108-67-8

SMILES

Cc1cc(C)cc(C)c1

InChIKey

AUHZEENZYGFFBQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 1,3,5-trimethyl-
1,3,5-Trimethylbenzene
Sym-Trimethylbenzene
2,4,6-Trimethylbenzene
3,5-Dimethyltoluene
NSC 9273

Reactions

Mesityleneproduct

Work with Mesitylene

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

3,5-Dimethylphenol108-68-960 % similar 3,5-Xylidine108-69-060 % similar 3,5-Dimethylbenzenethiol38360-81-560 % similar Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]diruthenium52462-31-460 % similar 1-Chloro-3,5-dimethylbenzene556-97-860 % similar Tris(3,5-dimethylphenyl)phosphine69227-47-060 % similar M-Xylene108-38-357 % similar 3,5-Lutidine591-22-053 % similar

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

Same formula

n-Propylbenzene103-65-1 Ethylidene norbornene16219-75-3 1,8-Nonadiyne2396-65-8 Vinyl norbornene3048-64-4 1,2,3-Trimethylbenzene526-73-8 1-Ethyl-2-methylbenzene611-14-3 1-Ethyl-3-methylbenzene620-14-4 4-Ethyltoluene622-96-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia