1,2,4-Trimethylbenzene

C₉H₁₂CAS 95-63-6120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂
Molar mass: 120.19 g/mol
Exact mass: 120.0939 Da
Density: 0.8761 g/mL (at 20 °C)
Melting point: −43.8 °C
Boiling point: 168.89 °C
Flash point: 44 °C (closed cup)
Water solubility: 57 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
H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H332 Harmful if inhaledAcute toxicity, inhalation
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, index 601-043-00-3), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

95-63-6

SMILES

Cc1ccc(C)c(C)c1

InChIKey

GWHJZXXIDMPWGX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Benzene, 1,2,4-trimethyl-
ψ-Cumene
Pseudocumene
Pseudocumol
1,3,4-Trimethylbenzene
1,2,5-Trimethylbenzene
Methyl-p-xylene
NSC 65600
Pseudo-Cumene
3,4-Dimethyltoluene

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 95-63-6. Each row opens the sheet with its composition and PDF.

1,2,4-Trimethylbenzene > 95 %Fisher Scientific · 2025-12-18

Open in the SDS library

Work with 1,2,4-Trimethylbenzene

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-Iodo-1,4-dimethylbenzene1122-42-559 % similar 1-Iodo-2,4-dimethylbenzene4214-28-259 % similar Chloro-p-xylene95-72-759 % similar 2,4-Dimethylphenol105-67-957 % similar 2,4-Dimethylbenzenethiol13616-82-557 % similar N-(2,4-Dimethylphenyl)-2,4-dimethylbenzenamine19616-28-557 % similar 2,5-Dimethylbenzenethiol4001-61-057 % similar Tris(2,4-dimethylphenyl)phosphine49676-42-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

n-Propylbenzene103-65-1 Mesitylene108-67-8 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia