3-Hexenyl butyrate, (3Z)-

  • Identifiers

    CAS number
    16491-36-4

    Molecular formula
    C10H18O2

    SMILES
    CCCC(=O)OCC/C=C\CC
    OO

    Retention indicies (RI)

    • DB5: 1187.25
    • Carbowax: 1457.5

  • Odor profile

    green 93.68%
    fruity 93.25%
    apple 75.29%
    tropical 71.38%
    fresh 62.89%
    sweet 61.43%
    pear 59.83%
    waxy 56.33%
    banana 55.79%
    pineapple 55.58%

    Scent© AI

  • Properties

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

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • 0.1752 hPa @ 20°C
    • 0.2695 hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling points

    • 96.00 °C. @ 20.00 mm Hg

    Solubilities

    • very slightly
    • soluble in alcohol, propylene glycol; miscible with most fixed oils; insoluble in water

  • Synonyms

    • cis-3-Hexenyl butyrate
    • 16491-36-4
    • (Z)-3-hexenyl butyrate
    • (Z)-Hex-3-en-1-yl butyrate
    • (Z)-Hex-3-enyl butyrate
    • [(Z)-hex-3-enyl] butanoate
    • Butanoic acid, (3Z)-3-hexen-1-yl ester
    • cis-3-Hexen-1-yl butyrate
    • Butanoic acid, 3-hexenyl ester, (Z)-
    • cis-Butyric acid, 3-hexenyl ester
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.07%
Jasmine sambac (Indonesia) Jasminum sambac (L.) Aiton, fam. Oleaceae 0.16%
Pistacia khinjuk (Egypt) leaf Pistacia khinjuk Stocks, fam. Anacardiaceae 0.1%
Osmanthus headspace (living flowers) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.2%
Osmanthus headspace (picked flowers) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 1.17%
Osmanthus headspace (picked flowers) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 4.17%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.01%
Coriander fruit (Finland) 4 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.45%
Lemon verbena (Morocco) 1 Aloysia triphylla (L'Herit.) Britton (Lippia citriodora (Lam.) O. Kuntze) 0.4%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.01%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 0.53%
Michelia alba flower absolute (China) Michelia alba DC., fam. Magnoliaceae 0.54%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.56%
Jasmine polyanthum flower headspace Jasminum polyanthum L., fam. Oleaceae 2.68%
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.23%
Fir balsam 2a 8021-28-1 Abies balsamea (L.) Mill., fam. Pinaceae 0.05%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.07%
Origanum micranthum (Turkey) Origanum micranthum Vogel, fam. Lamiaceae (Labiatae) 0.24%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.3%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.01%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.01%
Olive flower (headspace) Olea europaea L., fam. Oleaceae 0.2%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.1%
Coriander fruit 8 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Coriander fruit (Greece) 1a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.1%
Coriander fruit (Greece) 1b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.2%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 1.0%
Guava leaf 4 Psidium guajava L., fam. Myrtaceae 0.01%
Carapa guianensis Carapa guianensis Aubl., fam. Meliaceae 0.05%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 10.8%
Astronium urundeuva (Brazil) Astronium urundeuva (Allemao) Engl., fam. Anacardiaceae 0.05%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 12.92%