Hex-3-en-1-yl butanoate

  • Identifiers

    CAS number
    2142-93-0

    Molecular formula
    C10H18O2

    SMILES
    CCCC(=O)OCCC=CCC
    OO

    Retention indicies (RI)

    • DB5: 1185.0

  • 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.

    • 0.1619 hPa @ 20°C
    • 0.2499 hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    203°C

  • Synonyms

    • hex-3-en-1-yl butanoate
    • hex-3-enyl butanoate
    • 3-Hexenyl butanoic acid
    • Hex-trans-3-enyl butyrate
    • 2142-93-0
    • (E)-3-hexen-1-yl butyrate
    • butanoic acid 3-hexenyl ester
    • Hex-trans-3-enyl butyric acid
    • DTXSID00860181
    • AKOS028109291
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Freesia, Living Flower Headspace Freesia refracta L. 0.2%
Freesia, Picked Flower Headspace Freesia refracta L. 0.05%
Pummelo (Shaddock) (Vietnam) flower 84696-38-8 Citrus maxima (J. Burman) Merrill. (C. grandis (L.) Osbeck), fam. Rutaceae 0.01%
Lemon (Japan) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.12%
Grapefruit (Japan) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 0.18%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 1.72%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 0.3%
Artemisia abaensis (China) Artemisia abaensis Y.R. Ling et S.Y. Zhao, fam. Asteraceae (Compositae) 5.11%
Artemisia atrovirens (China) Artemisia atrovirens Hand.-Mazz., fam. Asteraceae (Compositae) 1.14%
Artemisia speciosa (China) Artemisia speciosa (Pamp.) Ling et Y.R. Ling, fam. Asteraceae (Compositae) 1.03%
Lawsonia inermis flower headspace (China) Lawsonia inermis L., fam. Lythraceae 0.11%
Jasmine rose flower headspace (China) 2 Gardenia jasminoides Ellis var. fortuniana Lindl., fam. Rubiaceae 0.7%
Hedychium coronarium flower headspace (China) Hedychium coronarium Koenig, fam. Zingiberaceae 0.24%
Passion fruit (China) 1 Passiflora edulis Sims, fam. Passifloraceae 1.33%
Jasmine (China) 2a (headspace) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.85%
Santolina insularis (Italy) 1a CO2-extract Santolina insularis L., fam. Asteraceae (Compositae) 0.3%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 0.2%