tert-Butylbenzene

*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

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.

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:

References

^ Griesbaum, Karl; Behr, Arno; Biedenkapp, Dieter; Voges, Heinz-Werner; Garbe, Dorothea; Paetz, Christian; Collin, Gerd; Mayer, Dieter; Höke, Hartmut (2002). "Hydrocarbons". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a13_227. ISBN 978-3527306732.
^ Fieser, Louis F. (1941), Experiments in Organic Chemistry, Second Edition, pp. 180–181, doi:10.1021/ed018p550.1

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[Ullmanns-1] Griesbaum, Karl; Behr, Arno; Biedenkapp, Dieter; Voges, Heinz-Werner; Garbe, Dorothea; Paetz, Christian; Collin, Gerd; Mayer, Dieter; Höke, Hartmut (2002). "Hydrocarbons". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a13_227. ISBN 978-3527306732.

[Fieser-2] Fieser, Louis F. (1941), Experiments in Organic Chemistry, Second Edition, pp. 180–181, doi:10.1021/ed018p550.1

[1]

[2]