2-Methylhexane

  • Identifiers

    CAS number
    591-76-4

    Molecular formula
    C7H16

    SMILES
    CCCCC(C)C

  • Odor profile

    sweet 54.41%
    ethereal 46.57%
    gassy 45.98%
    fresh 36.52%
    solvent 28.89%
    herbal 24.99%
    musty 23.98%
    camphoreous 23.22%
    pungent 21.71%
    mint 20.81%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7 Well soluble in BB, DEP, MMB

    Molecular weight
    100.2 g/mol

    Melting points

    • -118 °C

    Boiling points

    • 90 °C

    Flash points

    • -18 °C c.c.

    Solubilities

    • Solubility in water: none

  • Synonyms

    • 2-METHYLHEXANE
    • 591-76-4
    • Hexane, 2-methyl-
    • ISOHEPTANE
    • Isobepane
    • 31394-54-4
    • D 726
    • EINECS 209-730-6
    • UNII-YI4679P2SP
    • NSC 24840
    • YI4679P2SP
    • EINECS 250-610-8
    • NSC-24840
    • DTXSID5052256
    • EC 250-610-8
    • 2-methyl-hexane
    • Hexane, 2methyl
    • MFCD00009487
    • 2-Methylhexane, 99%
    • 2-Methylhexane; NSC 24840
    • CHEMBL1797267
    • DTXCID0030827
    • DTXSID90193632
    • CHEBI:230545
    • DTXSID201014575
    • NSC24840
    • AKOS015841662
    • LS-13367
    • DB-053334
    • M0231
    • NS00002780
    • D91294
    • Q183300
    • 250-610-8
1 4

Botanical

Name CAS Botanical Proportion
Michelia champaca flower headspace (China) Michelia champaca L., fam. Magnoliaceae 1.02%