• Identifiers

    CAS number
    96-14-0

    Molecular formula
    C6H14

    SMILES
    CCC(C)CC

  • Odor profile

    ethereal 51.26%
    gassy 47.43%
    sweet 41.31%
    fresh 36.7%
    solvent 29.7%
    camphoreous 24.72%
    musty 24.63%
    pungent 22.54%
    fruity 19.83%
    herbal 19.47%

    Scent© AI

  • Properties

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

    Molecular weight
    86.18 g/mol

    Melting points

    • -162.9 °C
    • -118 °C
    • -245 to -148 °F

    Boiling points

    • 63.271 °C
    • 63.3 °C
    • 572 °F

    Flash points

    • -6.6 °C
    • <20 °F (< -7 °C) (Closed cup)
    • -54 to 19 °F

    Solubilities

    • Sol in ethanol, carbon tetrachloride; miscible in ether, acetone, benzene, heptane
    • In water, 17.9 mg/L at 25 °C
    • Solubility in water: none

  • Synonyms

    • 3-METHYLPENTANE
    • 96-14-0
    • Pentane, 3-methyl-
    • 3-Methyl-pentane
    • Diethylmethylmethane
    • 3-methyl pentane
    • UNII-XD8O3ML76T
    • XD8O3ML76T
    • CHEBI:88373
    • HSDB 5300
NaN of -Infinity
Name CAS Botanical Proportion
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.1%