Isocitral

  • Identifiers

    CAS number
    1754-00-3

    Molecular formula
    C10H16O

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

  • Odor profile

    green 71.75%
    citrus 62.21%
    floral 49.38%
    fresh 49.21%
    herbal 48.21%
    lemon 46.51%
    sweet 44.93%
    aldehydic 44.33%
    fruity 39.67%
    melon 36.61%

    Scent© AI

  • Properties

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

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • 0.0986 hPa @ 20°C
    • 0.1526 hPa @ 25°C

    Evaporation rate
    Moderate

  • Synonyms

    • Isocitral
    • Isogeranial
    • (3E)-3,7-dimethylocta-3,6-dienal
    • 1754-00-3
    • 3,6-Octadienal, 3,7-dimethyl-
    • (3e)-3,7-dimethyl-3,6-octadienal
    • isocitral (z-)
    • (E)-3,7-Dimethylocta-3,6-dienal
    • 3,6-Octadienal, 3,7-dimethyl-, (E)-
    • b-Isogeranial
NaN -Infinity

IFRA Standard - 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.54 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.12 %
Category 2
Products applied to the axillae
 0.16 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.12 %
Category 3
Products applied to the face/body using fingertips
 0.03 % Category 8
Products with significant anogenital exposure
 0.01 %
Category 4
Products related to fine fragrance
 3 % Category 9
Products with body and hand exposure, primarily rinse off
 0.79 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.76 % Category 10A
Household care products with mostly hand contact
 0.79 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.12 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 4.2 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.03 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.01 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.01 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.01 %
Category 6
Products with oral and lip exposure
 1.3 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 53 %

Botanical

Name CAS Botanical Proportion
Lemon balm 2 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.2%