beta-Damascenone

  • Identifiers

    CAS number
    23726-93-4

    Molecular formula
    C13H18O

    SMILES
    C/C=C/C(=O)C1=C(C=CCC1(C)C)C
    O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1381.75
    • Carbowax: 1813.0

  • Odor profile

    fruity 87.73%
    floral 82.94%
    woody 73.44%
    rose 69.43%
    sweet 64.92%
    green 60.84%
    apple 54.76%
    tobacco 54.29%
    berry 53.07%
    plum 49.23%

    Scent© AI

  • Properties

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

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • 0.013 hPa @ 20°C
    • 0.0211 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling points

    • 274.00 to 276.00 °C. @ 760.00 mm Hg

    Solubilities

    • 1 ml in 10 ml 95% alcohol (in ethanol)

  • Synonyms

    • Damascenone
    • beta-Damascenone
    • 23696-85-7
    • 23726-93-4
    • trans-beta-Damascenone
    • trans-damascenone
    • .beta.-Damascenone
    • 2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
    • 1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
    • (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
NaN -Infinity

IFRA Standard - 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.088 %
Category 2
Products applied to the axillae
 0.0023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.088 %
Category 3
Products applied to the face/body using fingertips
 0.046 % Category 8
Products with significant anogenital exposure
 0.0045 %
Category 4
Products related to fine fragrance
 0.043 % Category 9
Products with body and hand exposure, primarily rinse off
 0.084 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.011 % Category 10A
Household care products with mostly hand contact
 0.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.011 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.011 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.17 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.011 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.17 %
Category 6
Products with oral and lip exposure
 0.025 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Tessaria absinthioides (Argentina) Tessaria absinthioides (Hook et Arn.) D. Candole, fam. Asteraceae (Comp.) 7.5%
Teucrium heterophyllum (Canary Islands) Teucrium heterophyllum L'Her. (T. canariensis), fam. Lamiaceae (Labiatae) 0.4%
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.06%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Orthodon dianthera (Vietnam) Orthodon dianthera Maxim. (Mosla dianthera Maxim.), fam. Lamiaceae 0.05%
Seafennel (Greece) 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.1%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 2.1%
Inula verbascifolia ssp. methanea Inula verbascifolia ssp methanea (Hausskn.) Turin, fam. Asteraceae 0.01%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.2%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.4%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 0.4%
Rose (Turkey) 8 8007-01-0 Rosa damascena Miller, fam. Rosaceae 0.03%