2-Hexenal diethyl acetal, (2E)-

  • Identifiers

    CAS number
    67746-30-9

    Molecular formula
    C10H20O2

    SMILES
    CCC/C=C/C(OCC)OCC
    OO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1272.0

  • Odor profile

    green 91.89%
    fruity 82.72%
    apple 67.24%
    fresh 48.6%
    vegetable 47.66%
    fatty 43.85%
    tropical 42.87%
    herbal 42.36%
    leafy 37.83%
    melon 36.3%

    Scent© AI

  • Properties

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

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • 0.5367 hPa @ 20°C
    • 0.7859 hPa @ 25°C

    Evaporation rate
    Fast

    Boiling points

    • 76.00 °C. @ 15.00 mm Hg

    Solubilities

    • Soluble in most fixed oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 67746-30-9
    • trans-2-Hexen-1-al diethyl acetal
    • trans-2-Hexenal diethyl acetal
    • 2-Hexene, 1,1-diethoxy-, (2E)-
    • (E)-1,1-Diethoxyhex-2-ene
    • 1,1-Diethoxy-2-hexene
    • trans-2-Hexenal diethylacetal
    • 1,1-Diethoxy-trans-2-hexene
    • (E)-2-hexenal diethyl acetal
    • 2-Hexene, 1,1-diethoxy-, (E)-
NaN -Infinity

IFRA Standard - 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
trans-2-Hexenal diethyl acetal should not be used as a fragrance ingredient.

Botanical

Name CAS Botanical Proportion
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 4.1%