3-Hexenyl isovalerate, (3Z)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    35154-45-1

    Molecular formula
    C11H20O2

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

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1231.0
    • Carbowax: 1480.0

  • Odor profile

    fruity 93.51%
    green 92.16%
    apple 78.37%
    tropical 68.13%
    sweet 58.88%
    pear 57.34%
    fresh 55.7%
    banana 54.5%
    pineapple 53.67%
    waxy 49.96%

    Scent© AI

  • Properties

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

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • 0.0957 hPa @ 20°C
    • 0.1494 hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 98.00 °C. @ 15.00 mm Hg

    Solubility expt.

    • soluble in alcohool, most fixed oils; insolouble- water

  • Synonyms

    • cis-3-Hexenyl isovalerate
    • 35154-45-1
    • (Z)-3-Hexenyl isovalerate
    • [(Z)-hex-3-enyl] 3-methylbutanoate
    • (Z)-3-Hexen-1-yl isovalerate
    • cis-3-Hexenyl isopentanoate
    • (Z)-Hex-3-enyl isovalerate
    • (Z)-3-Hexenyl 3-methylbutyrate
    • (Z)-Hex-3-enyl 3-methylbutanoate
    • 3-Hexenyl isopentanoate
NaN -Infinity

IFRA Standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.88 %
Category 2
Products applied to the axillae
 0.023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.88 %
Category 3
Products applied to the face/body using fingertips
 0.46 % Category 8
Products with significant anogenital exposure
 0.037 %
Category 4
Products related to fine fragrance
 0.43 % Category 9
Products with body and hand exposure, primarily rinse off
 0.84 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.11 % Category 10A
Household care products with mostly hand contact
 1.8 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.11 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.11 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.037 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.037 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.037 %
Category 6
Products with oral and lip exposure
 0.25 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Mentha longifolia (France) 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.15%
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.28%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.88%
Cornmint (Mentha arvensis) Mongolia 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.7%
Mentha asiatica (Mongolia) Mentha asiatica Borriss, fam. Lamiaceae (Labiatae) 0.03%
Peppermint (Mongolia) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.06%
Tulip sylvestre headspace cv. "Generaal de Wet" Tulipa sylvestris L. cultivar "Generaal de Wet", fam. Liliaceae 2.73%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.1%
Pistacia lentiscus (Spain) 3 whole plant 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.1%
Peppermint (Mexico) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.1%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 5.4%
Artemisia variabilis (Italy) Artemisia variabilis Ten., fam. Asteraceae (Compositae) 0.05%
Artemisia campestris, ssp. glutinosa (Italy) Artemisia campestris L. ssp. glutinosa (Ten.) Briq. et Cavill., Asteraceae 0.1%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 2.41%