(1R,5S)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hex-3-en-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    546-78-1

    Molecular formula
    C10H14O

    SMILES
    CC1=CC(=O)[C@@]2([C@H]1C2)C(C)C

    Retention indicies (RI)

    • DB5: 1171.2
    • Carbowax: 1629.0

  • Odor profile

    mint 60.93%
    woody 53.73%
    herbal 47.9%
    spicy 44.37%
    camphoreous 43.46%
    cooling 37.85%
    fresh 31.55%
    cedar 25.85%
    warm 23.0%
    pine 22.73%

    Scent© AI

  • Properties

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

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    229°C

  • Synonyms

    • Umbellulone
    • 546-78-1
    • (-)-Umbellulone
    • (R)-Umbellulone
    • (1R,5S)-4-Methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one
    • (1R,5S)-4-Methyl-1-propan-2-ylbicyclo(3.1.0)hex-3-en-2-one
    • [1R,5S,(-)]-4-Methyl-1-isopropylbicyclo[3.1.0]hexa-3-ene-2-one
    • C09911
    • AC1L9CYT
    • Umbellol
    • Umbellulone?
    • (1R,5S)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hex-3-en-2-one
    • (1R,5S)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hex-3-en-2-one
    • SureCN435454
    • SCHEMBL435454
    • CHEBI:9860
    • DTXSID301016986
    • AKOS040740954
    • NCGC00485432-01
    • DA-68469
    • MS-22850
    • HY-135013
    • CS-0109051
    • G14311
    • (1R,5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-en-2-one
    • (1R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hex-3-en-2-one
1 4

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
Cymbopogon jwarancusa (India) Cymbopogon jwarancusa (Jones) Schult., fam. Poaceae (Gramineae) 4.7%
Cypress cones (Egypt) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.1%
Tansy (Canada) 2a flowers 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 1.86%
Tansy (Canada) 2b stems & sheets 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 0.84%
Cypress (Algeria) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.16%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Artemisia aksaiensis (China) Artemisia aksaiensis Y.R. Ling, fam. Asteraceae (Compositae) 0.31%
Eucalyptus globulus (Algeria) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.6%
Oregano, mexican (U.S.A.) 2 Lippia graveolens HBK., fam. Verbenaceae 0.01%
Pennyroyal (Cuba) 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.74%
Keora (India) 4 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.07%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Tansy (Poland) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 0.1%
Tansy (Argentina) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 0.01%
Tansy (Finland) 2b 8016-87-3 Tanacetum vulgare L. umbellulone chemotype, fam. Asteraceae (Compositae) 56.8%
Tansy (U.S.A.) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 24.7%
Ocimum gratissimum (Benin) 1 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.25%
Eucalyptus globulus (Italy) 1a hydrodistiled 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.6%
Eucalyptus globulus (Italy) 1b CO2-extract 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.2%
Salvadora persica root Salvadora persica L., fam. Salvadoraceae 0.4%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.01%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0.01%