• Identifiers

    CAS number
    922-28-1

    Molecular formula
    C9H20

    SMILES
    CCCC(C)C(C)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    herbal 39.57%
    fresh 38.65%
    citrus 33.78%
    woody 32.09%
    gassy 31.77%
    sweet 30.28%
    waxy 28.82%
    oily 26.3%
    spicy 26.22%
    pine 25.99%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5 Well soluble in BB, DEP, IAA

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • 8.7921 hPa @ 20°C
    • 11.9476 hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    136°C

    Boiling point expt.

    • 140.60 °C. @ 760.00 mm Hg

  • Synonyms

    • 3,4-DIMETHYLHEPTANE
    • 922-28-1
    • Heptane, 3,4-dimethyl-
    • 3,4-dimethyl-heptane
    • NSC 158678
    • 3,4-Dimethylheptane, (D)
    • 3,4-Dimethylheptane, (L)
    • DTXSID10870796
    • MFCD00048736
    • NSC158678
NaN of -Infinity
Recommendation
No restriction
Name CAS Botanical Proportion
Violet odorata leaf 1 8024-08-6 Viola odorata L., fam. Violaceae 1.0%