5,7-Dimethoxycoumarin

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    487-06-9

    Molecular formula
    C11H10O4

    SMILES
    COC1=CC2=C(C=CC(=O)O2)C(=C1)OC
    OOOO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1986.0

  • Odor profile

    sweet 69.12%
    vanilla 43.64%
    phenolic 39.68%
    nutty 35.17%
    spicy 34.4%
    powdery 33.99%
    fruity 33.77%
    creamy 32.36%
    coumarinic 32.01%
    balsamic 31.45%

    Scent© AI

  • Properties

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

    Molecular weight
    206.19 g/mol

    Vapor pressure est.

    • 0 hPa @ 20°C
    • 0 hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Melting point expt.

    • 147 °C

  • Synonyms

    • citropten
    • 5,7-Dimethoxycoumarin
    • 487-06-9
    • Limettin
    • 5,7-Dimethoxy-2H-chromen-2-one
    • Citroptene
    • 2H-1-Benzopyran-2-one, 5,7-dimethoxy-
    • 5,7-dimethoxychromen-2-one
    • Citraptene
    • Limetin
NaN -Infinity

IFRA Standard 51

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

Botanical

Name CAS Botanical Proportion
Fingered Citron Citrus medica L., cultivar sarcodactylis (Noot.) Swingle, fam. Rutaceae 0.27%
Citron (Italy) peel 1b Citrus medica L., cultivar Diamante, fam. Rutaceae 0.9%
Citron (Italy) peel 1c Citrus medica L., cultivar Diamante, fam. Rutaceae 6.5%
Lime (Mexican, West Indian, Key) 6 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.67%
Bergamot (Turkey) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.1%
Pummelo (Shaddock) (India) peel 84696-38-8 Citrus maxima (J. Burman) Merrill. (C. grandis (L.) Osbeck), fam. Rutaceae 0.1%