2,2,4-Trimethylpentane

CAS Registry Number®

540-84-1

CAS Name

2,2,4-Trimethylpentane

Molecular Formula

C8H18

Molecular Mass

114.23

Cite this Page

2,2,4-Trimethylpentane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=540-84-1 (retrieved 2024-11-21) (CAS RN: 540-84-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    99.238 °C

  • Melting Point (1)

    -107.45 °C

  • Density (1)

    0.69194 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

InChIKey

InChIKey=NHTMVDHEPJAVLT-UHFFFAOYSA-N

SMILES

C(C(C)(C)C)C(C)C

Canonical SMILES

CC(C)CC(C)(C)C

Other Names for this Substance

  • Pentane, 2,2,4-trimethyl-
  • 2,2,4-Trimethylpentane
  • Isobutyltrimethylmethane
  • Isooctane
  • iso-Octane

View All

Deleted or Replaced CAS Registry Numbers

31921-36-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration