3-Ethyl-4-methylhexane

  • Identifiers

    CAS number
    3074-77-9

    Molecular formula
    C9H20

    SMILES
    CCC(C)C(CC)CC

  • Odor profile

    fresh 38.14%
    herbal 37.06%
    woody 33.14%
    waxy 32.81%
    citrus 32.31%
    sweet 28.41%
    oily 28.31%
    gassy 28.04%
    spicy 25.33%
    pine 24.22%

    Scent© AI

  • Properties

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

    Molecular weight
    128.25 g/mol

  • Synonyms

    • 3-ETHYL-4-METHYLHEXANE
    • Hexane, 3-ethyl-4-methyl-
    • 3-Methyl-4-ethylhexane
    • 3074-77-9
    • 4-Ethyl-3-methylhexane
    • Hexane, 4-ethyl-3-methyl
    • DTXSID90871009
    • Q5652279
1 4

Botanical

Name CAS Botanical Proportion
Celery root 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 16.7%
Celery stem 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.3%