3-Hexenyl acetate, (3E)-

  • Identifiers

    CAS number
    1708-82-3

    Molecular formula
    C8H14O2

    SMILES
    CC/C=C/CCOC(=O)C
    OO

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1006.0
    • Carbowax: 1319.5

  • Odor profile

    green 95.58%
    fruity 94.48%
    sweet 72.96%
    apple 68.4%
    fresh 68.36%
    banana 62.06%
    tropical 60.87%
    pear 59.42%
    vegetable 54.94%
    melon 53.29%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9 Well soluble in IAA, DEP, MMB

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • 1.1187 hPa @ 20°C
    • 1.6182 hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    172°C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-3-Hexenyl acetate
    • 3681-82-1
    • [(E)-hex-3-enyl] acetate
    • (E)-hex-3-en-1-yl acetate
    • 3-Hexen-1-ol, acetate, (E)-
    • (E)-3-Hexen-1-yl acetate
    • (E)-3-Hexenyl acetate
    • (E)-Hex-3-enyl acetate
    • 3E-Hexenyl acetate
    • 3-Hexen-1-ol, 1-acetate
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Basil 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.02%
Rhanterium Rhanterium epapposum Oliv. 0.01%
Stevia rebaudiana Stevia rebaudiana Bertoni, fam. Asteraceae (Compositae) 1.1%
Eucalyptus grandis (Uruguay) Eucalyptus grandis W. Hill ex Maiden, fam. Myrtaceae 1.0%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 0.53%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 13.8%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 0.3%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 1.49%
Lawsonia inermis flower headspace (China) Lawsonia inermis L., fam. Lythraceae 0.68%
Jasmine rose flower headspace (China) 2 Gardenia jasminoides Ellis var. fortuniana Lindl., fam. Rubiaceae 0.14%
Guava fruit headspace (China) 91770-12-6 Psidium guajava L., fam. Myrtaceae 20.85%
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 0.12%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.2%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.1%
Jasmine (China) 2a (headspace) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.81%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.04%
Aegopodium podagraria Aegodopodium podagraria L., fam. Apiaceae (Umbelliferae) 0.3%
Neolitsea australiensis leaf (Australia) Neolitsea australiensis Kosterm., fam. Lauraceae 0.1%
Neolitsea brassii leaf (Australia) Neolitsea brassii Allen, fam. Lauraceae 0.1%
Elionurus muticus (Zimbabwe) Elionurus muticus (Spreng.) Kunth, fam. Poaceae (Gramineae) 0.1%
Lemon Balm (Idaho, USA) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.11%