4-Hexanolide

  • Identifiers

    CAS number
    695-06-7

    Molecular formula
    C6H10O2

    SMILES
    CCC1CCC(=O)O1
    OO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1064.0
    • Carbowax: 1693.14

  • Odor profile

    coconut 75.54%
    coumarinic 72.19%
    sweet 69.26%
    lactonic 60.29%
    herbal 60.06%
    creamy 58.75%
    nutty 51.87%
    spicy 51.09%
    caramellic 50.51%
    hay 49.99%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7 Well soluble in MMB, TEC, IAA

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • 0.1412 hPa @ 20°C
    • 0.2129 hPa @ 25°C

    Evaporation rate
    Moderate

    Melting points

    • -18 °C

    Boiling points

    • 100.00 to 102.00 °C. @ 18.00 mm Hg

    Solubilities

    • slightly
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • gamma-Caprolactone
    • 695-06-7
    • gamma-Hexalactone
    • gamma-Hexanolactone
    • 4-Hexanolide
    • 6-Caprolactone
    • 5-Ethyldihydrofuran-2(3H)-one
    • 5-ethyloxolan-2-one
    • Tonkalide
    • Toukalide
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.15%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.02%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.23%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.4%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 4.11%