1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    35044-68-9

    Molecular formula
    C13H20O

    SMILES
    CC=CC(=O)C1=C(CCCC1(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    fruity 91.54%
    floral 84.61%
    woody 72.63%
    rose 71.79%
    sweet 61.4%
    berry 58.74%
    tobacco 58.24%
    apple 56.08%
    plum 52.65%
    raspberry 51.3%

    Scent© AI

  • Properties

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

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Solubility expt.

    • 1 ml in 10 ml 95% (in ethanol)

  • Synonyms

    • 35044-68-9
    • beta-Damascone
    • 1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-
    • 2376-92-3
    • DTXSID1067885
    • 1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
    • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
    • 4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE
    • ss-Damascone
    • b-Damascone sum of isomers
    • DTXCID3038935
    • KBA04468
    • AKOS028109418
    • NS00008075
    • (E)-beta-Damascone 1000 microg/mL in Acetonitrile
    • 2,6,6-trimethyl-1-[but-2-enoyl]-cyclohex-1-ene
1 4

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