• Identifiers

    CAS number
    6789-80-6

    Molecular formula
    C6H10O

    SMILES
    CC/C=C\CC=O
    O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 855.0
    • Carbowax: 1139.86
  • Odor profile

    green 92.62%
    fruity 75.39%
    fresh 62.46%
    fatty 61.32%
    vegetable 60.49%
    pungent 55.45%
    apple 54.33%
    melon 53.26%
    leafy 49.44%
    grassy 46.58%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1 Well soluble in MMB, IAA, TEC

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • 10.1835 hPa @ 20°C
    • 13.7062 hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 20.00 °C. @ 0.20 mm Hg

    Solubility expt.

    • slightly

  • Synonyms

    • cis-3-Hexenal
    • 6789-80-6
    • (Z)-Hex-3-enal
    • (Z)-3-HEXENAL
    • 3-Hexenal, (3Z)-
    • 3-Hexenal, (Z)-
    • 3-(Z)-Hexenal
    • 3-Hexenal, cis-
    • (3Z)-Hexenal
    • FEMA No. 2561
NaN of -Infinity
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
Name CAS Botanical Proportion
Fern, sweet 1 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 0.07%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.01%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.3%
Lily-of-the-valley flower headspace Convallaria majalis L., fam. Liliaceae (Convallariaceae) 0.01%
Violet odorata flower headspace Viola odorata L., fam. Violaceae 0.01%
Bouea macrophylla fruit (Malaysia) Bouea macrophylla Grif. (B. gandaria Blume x Miq., fam. Anacardiaceae 0.83%
Peppermint (USA) 10b (headspace harvested plant) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.5%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.5%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 2.0%
Parsley leaf (Germany) 2a 8000-68-8 Petroselinum crispun (Miller) A.W. Hill cv Hamburger Schnitt,fam. Apiaceae 0.03%
Parsley leaf (Germany) 2b 800-68-8 Petroselinum crispun (Miller) A.W. Hill cv Mooskrause, fam. Apiaceae 0.05%
Salvia aramiensis (Turkey) Salvia aramiensis Rech. fil., fam. Lamiaceae (Labiatae) 0.1%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.1%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.25%