delta-HEXALACTONE

  • Identifiers

    CAS number
    823-22-3

    Molecular formula
    C6H10O2

    SMILES
    CC1CCCC(=O)O1
    OO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1716.0

  • Odor profile

    sweet 77.48%
    coconut 68.55%
    fruity 67.64%
    coumarinic 67.2%
    herbal 65.21%
    creamy 52.31%
    nutty 46.92%
    tobacco 45.53%
    woody 45.46%
    lactonic 44.64%

    Scent© AI

  • Properties

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

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • 0.0909 hPa @ 20°C
    • 0.1386 hPa @ 25°C

    Evaporation rate
    Moderate

    Melting points

    • 31.00 °C. @ 760.00 mm Hg

    Boiling points

    • 110.00 to 112.00 °C. @ 15.00 mm Hg

    Solubilities

    • soluble in alcohol, oil, propylene glycol, and ether; slightly soluble in water

  • Synonyms

    • delta-Hexalactone
    • 823-22-3
    • delta-Hexanolactone
    • 6-methyloxan-2-one
    • 5-Methyl-delta-valerolactone
    • delta-Caprolactone
    • 5-Hydroxyhexanoic acid lactone
    • 2H-Pyran-2-one, tetrahydro-6-methyl-
    • .delta.-Caprolactone
    • Tetrahydro-6-methyl-2H-pyran-2-one
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 4.22%