Cumene

C₉H₁₂CAS 98-82-8120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂
Molar mass: 120.19 g/mol
Exact mass: 120.0939 Da
Density: 0.862 g/mL (at 20 °C)
Melting point: −96 °C
Boiling point: 152.4 °C
Flash point: 31 °C (closed cup)
Water solubility: 61.3 mg/L (25 °C)
logP: 2.81Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vaporFlammable liquids
H304 May be fatal if swallowed and enters airwaysAspiration hazard
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H350 May cause cancerCarcinogenicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 601-024-00-X), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P318, P319, P331, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

98-82-8

SMILES

CC(C)c1ccccc1

InChIKey

RWGFKTVRMDUZSP-UHFFFAOYSA-N

InChI

InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

7 names

Benzene, (1-methylethyl)-
(1-Methylethyl)benzene
Cumol
Isopropylbenzene
2-Phenylpropane
NSC 8776
i-Propylbenzene

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 98-82-8. Each row opens the sheet with its composition and PDF.

Cumene > 95 %Fisher Scientific UK · 2023-09-29

Open in the SDS library

Work with Cumene

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

4-Isopropylbiphenyl7116-95-270 % similar 1,4-Diisopropylbenzene100-18-569 % similar 1,3-Diisopropylbenzene99-62-763 % similar 4,4'-Diisopropylbiphenyl18970-30-458 % similar 1,1-Diphenylethane612-00-058 % similar M-Cymene535-77-357 % similar Bis(1-methylethyl)benzene25321-09-953 % similar 4-Isopropylpyridine696-30-052 % 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