3-Methylheptane

CAS Registry Number®

589-81-1

CAS Name

3-Methylheptane

Molecular Formula

C8H18

Molecular Mass

114.23

Cite this Page

3-Methylheptane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   https://commonchemistry.cas.org/detail?cas_rn=589-81-1 (retrieved 2025-03-29) (CAS RN: 589-81-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    119 °C

  • Melting Point (2)

    -100 °C

  • Density (3)

    0.246 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

InChIKey

InChIKey=LAIUFBWHERIJIH-UHFFFAOYSA-N

SMILES

C(CCCC)(CC)C

Canonical SMILES

CCCCC(C)CC

Other Names for this Substance

  • Heptane, 3-methyl-
  • 3-Methylheptane
  • 2-Ethylhexane
  • (±)-3-Methylheptane
  • NSC 24845

Deleted or Replaced CAS Registry Numbers

116502-43-3