Chemistry:Isobutylbenzene

Isobutylbenzene

Names
Preferred IUPAC name (2-Methylpropyl)benzene
Other names Isobutylbenzene
Identifiers
CAS Number	538-93-2 Y
3D model (JSmol)	Interactive image
Beilstein Reference	1852218
ChEBI	CHEBI:43261 Y
ChEMBL	ChEMBL195882 Y
ChemSpider	10410 Y
DrugBank	DB04078
EC Number	208-706-2
Gmelin Reference	261101
PubChem CID	10870
UNII	FI94T26KGB Y
UN number	2709
InChI InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 Y Key: KXUHSQYYJYAXGZ-UHFFFAOYSA-N Y InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
SMILES CC(C)CC1=CC=CC=C1
Properties
Chemical formula	C10H14
Molar mass	134.222 g·mol−1
Appearance	Colorless liquid
Odor	Aromatic
Density	0.853 g/cm3, liquid
Melting point	−51 °C (−60 °F; 222 K)
Boiling point	170 °C (338 °F; 443 K)
Vapor pressure	4.2 mmHg (37.7 °C)
Refractive index (nD)	1.486
Hazards
Safety data sheet	ICSC 0113
GHS pictograms
GHS Signal word	Danger
GHS hazard statements	H226, H304, H315, H319, H335, H336
GHS precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+310, P302+352, P303+361+353, P304+340, P305+351+338, P312, P321, P331, P332+313, P337+313, P362, P370+378, P403+233, P403+235, P405
NFPA 704 (fire diamond)	2
Related compounds
Related compounds	n-Butylbenzene, sec-Butylbenzene, tert-Butylbenzene, Cumene
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Tracking categories (test):

• PairSizeSet

Isobutylbenzene is a chemical compound with the molecular formula C₁₀H₁₄. It is used in the industrial manufacture of ibuprofen.

Isobutylbenzene is a colorless flammable liquid that is a respiratory irritant.