3-Hexenyl hexanoate, (3Z)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    31501-11-8

    Molecular formula
    C12H22O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1370.0
    • Carbowax: 1642.5

  • Odor profile

    green 94.46%
    fruity 93.22%
    tropical 71.04%
    apple 69.91%
    waxy 64.71%
    pear 60.41%
    fresh 50.98%
    pineapple 49.99%
    vegetable 48.56%
    melon 48.55%

    Scent© AI

  • Properties

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

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • 0.016 hPa @ 20°C
    • 0.0268 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 115.00 °C. @ 15.00 mm Hg

    Solubility expt.

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

  • Synonyms

    • cis-3-Hexenyl hexanoate
    • 31501-11-8
    • cis-3-Hexenyl caproate
    • (Z)-3-hexenyl hexanoate
    • cis-3-Hexenyl hexoate
    • Hexanoic acid, (3Z)-3-hexenyl ester
    • (Z)-Hex-3-enyl hexanoate
    • (3Z)-Hex-3-en-1-yl hexanoate
    • Hexanoic acid, 3-hexenyl ester, (Z)-
    • 3-Hexenyl hexanoate, (Z)-
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.01%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.09%
Jasmine rose flower headspace (China) 2 Gardenia jasminoides Ellis var. fortuniana Lindl., fam. Rubiaceae 0.1%
Passion fruit (China) 1 Passiflora edulis Sims, fam. Passifloraceae 6.65%
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 1.5%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.1%
Pistacia lentiscus (Spain) 3 whole plant 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.2%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%
Inula verbascifolia ssp. methanea Inula verbascifolia ssp methanea (Hausskn.) Turin, fam. Asteraceae 0.01%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%