5-(1,1-Dimethylethyl)-1,2,3-trimethylbenzene

CAS Registry Number®

98-23-7

CAS Name

5-(1,1-Dimethylethyl)-1,2,3-trimethylbenzene

Molecular Formula

C13H20

Molecular Mass

176.30

Cite this Page

5-(1,1-Dimethylethyl)-1,2,3-trimethylbenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98-23-7 (retrieved 2024-11-24) (CAS RN: 98-23-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    114-115 °C @ Press: 17 Torr

  • Melting Point (2)

    31-32 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3

InChIKey

InChIKey=ZQVJKYPEIPJEIP-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C1=CC(C)=C(C)C(C)=C1

Canonical SMILES

C=1C(=CC(=C(C1C)C)C)C(C)(C)C

Other Names for this Substance

  • Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl-
  • Benzene, 5-tert-butyl-1,2,3-trimethyl-
  • 5-(1,1-Dimethylethyl)-1,2,3-trimethylbenzene
  • 5-tert-Butyl-1,2,3-trimethylbenzene
  • 5-tert-Butylhemimellitene

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