2,4-Heptadienal

  • Identifiers

    CAS number
    4313-03-5

    Molecular formula
    C7H10O

    SMILES
    CC/C=C/C=C/C=O
    O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1014.33
    • Carbowax: 1476.43

  • Odor profile

    green 94.08%
    fatty 84.95%
    fruity 79.74%
    vegetable 65.79%
    pungent 60.69%
    aldehydic 59.17%
    melon 57.62%
    spicy 55.88%
    fresh 54.9%
    oily 54.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6 Well soluble in IAA, DEP, MMB

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • 0.6095 hPa @ 20°C
    • 0.8849 hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Solubility expt.

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

  • Synonyms

    • (2E,4E)-Hepta-2,4-dienal
    • 2,4-HEPTADIENAL
    • trans,trans-2,4-Heptadienal
    • 4313-03-5
    • Trans-2-trans-4-Heptadienal
    • 5910-85-0
    • (E,E)-2,4-Heptadienal
    • 2,4-Heptadienal, (2E,4E)-
    • 2,4-Heptadienal, (E,E)-
    • (E,E)-2,4-Heptadien-1-al
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
2,4-Dienals should not be used as a fragrance ingredient.

Botanical

Name CAS Botanical Proportion
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.6%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.1%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.01%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.01%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.03%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 1.3%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.01%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 0.01%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.3%
Tangerine (USA-Florida) 3 8008-31-9 Citrus reticulata Blanco, cultivar Dansy, fam. Rutaceae 0.01%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 1.4%
Thymus migricus (Turkey) Thymus migricus Klokov et Des.-Shost., fam. Lamiaceae (Labiatae) 0.05%