Tert-Butylbenzene

tert-Butylbenzene is an organic compound classified as an aromatic hydrocarbon. Its structure consists of a benzene ring substituted with a tert-butyl group. It is a flammable colorless liquid which is nearly insoluble in water but miscible with organic solvents.

tert-Butylbenzene

Names
Preferred IUPAC name tert-Butylbenzene
Other names t-butylbenzene 1,1-dimethylethylbenzene
Identifiers
CAS Number	98-06-6
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL1797277
ChemSpider	7088
ECHA InfoCard	100.002.394
EC Number	202-632-4
PubChem CID	7366
UNII	M1R2NME7S2
UN number	2709
CompTox Dashboard (EPA)	DTXSID3047138
InChI InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 Key: YTZKOQUCBOVLHL-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=CC=C1
Properties
Chemical formula	C10H14
Molar mass	134.22
Appearance	colorless liquid
Density	0.867 g/cm3
Melting point	−57.9 °C (−72.2 °F; 215.2 K)
Boiling point	169 °C (336 °F; 442 K)
Solubility in water	insoluble
Solubility in organic solvents	miscible
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Flammable
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H315, H319
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P362, P370+P378, P403+P235, P501
Flash point	34.4 °C (93.9 °F; 307.5 K)
Autoignition temperature	450 °C (842 °F; 723 K)
Related compounds
Related compounds	iso-Butylbenzene, sec-Butylbenzene, n-Butylbenzene
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Production

tert-Butylbenzene can be produced by the treatment of benzene with isobutene^[1] or by the reaction of benzene with tert-butyl chloride in presence of anhydrous aluminium chloride,^[2] the latter is depicted below: