4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one

  • Identifiers

    CAS number
    80-57-9

    Molecular formula
    C10H14O

    SMILES
    CC1=CC(=O)C2CC1C2(C)C
    O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1209.71
    • Carbowax: 1717.14

  • Odor profile

    fruity 75.71%
    woody 68.9%
    mint 67.03%
    herbal 58.76%
    camphoreous 57.51%
    spicy 57.45%
    tobacco 42.97%
    sweet 39.64%
    cedar 35.59%
    fresh 34.67%

    Scent© AI

  • Properties

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

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • 0.1301 hPa @ 20°C
    • 0.1942 hPa @ 25°C

    Evaporation rate
    Moderate

    Solubilities

    • Practically insoluble to insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • VERBENONE
    • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
    • 80-57-9
    • 2-Pinen-4-one
    • dl-Verbenone
    • d-Verbenone
    • NSC6832
    • ST069322
    • Verbinone
    • CHEBI:78315
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Amomum villosum Amomum villosum Lour., fam. Zingiberaceae 0.01%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.35%
Cedarleaf 2 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.2%
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.03%
Rosemary (Tunisia) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Eucalyptus globulus (Spain) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.04%
Hinoki leaf Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.89%
Hinoki root Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 2.44%
Hinoki wood Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.29%
Ichtyothere terminalis (Brazil) Ichtyothere terminalis (common name: Mata-peixe or cunabi),fam. Asteraceae 0.84%
Lavandula dentata (Chemotype A) Lavandula dentata L. (Chemotype A), fam. Lamiaceae (Labiatae) 0.3%
Lavandula dentata (Chemotype B) Lavandula dentata L. (Chemotype B), fam. Lamiaceae (Labiatae) 0.4%
Lavandula luisieri (Chemotype A) Lavandula luisieri L., Chemotype A, fam. Lamiaceae (Labiatae) 1.7%
Lavandula luisieri (Chemotype B) Lavandula luisieri L., Chemotype B, fam. Lamiaceae (Labiatae) 2.1%
Lavandula stoechas (ssp. sampaioana A) Lavandula stoechas L. (ssp. sampaioana, Chemotype A), fam. Lamiaceae 0.2%
Lavandula stoechas (ssp. pedunculata A) Lavandula stoechas L. (ssp. pedunculata, Chemotype A), fam. Lamiaceae 0.4%
Lavandula stoechas (ssp. pedunculata B) Lavandula stoechas L. (ssp. pedunculata, Chemotype B), fam. Lamiaceae 2.0%
Lavandula stoechas (ssp. sampaioana B) Lavandula stoechas L. (ssp. sampaioana, Chemotype B), fam. Lamiaceae 2.0%
Lavandula stoechas (ssp. stoechas) Lavandula stoechas L. (ssp. stoechas), fam. Lamiaceae (Labiatae) 0.1%
Lavandula viridis Lavandula viridis L., fam. Lamiaceae (Labiatae) 0.7%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Myrtle leaf, wildgrowing (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Olibanum, Frankincense (Aden) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 6.5%
Pinus pinaster (Portugal) 1 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Rosemary (Spain) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 4.0%
Sideritis granatensis Sideritis granatensis (Pau) Rivas-Goday, fam. Lamiaceae (Labiatae) 0.05%
Rosemary (Argentina) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.3%
Rosemary (Argentina) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.7%
Guava leaf 1 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.2%
Juniperus martinezii Juniperus martinezii Perez de la Rosa, fam. Cupressaceae 0.4%
Juniperus flaccida var. flaccida Juniperus flaccida Schlecht, var. flaccida, fam. Cupressaceae 1.2%
Juniperus flaccida var. poblana Juniperus flaccida var. poblana Martinez, fam. Cupressaceae 0.3%
Seafennel 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.09%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.1%
Cypress cones (Egypt) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.9%
Pistacia khinjuk (Egypt) leaf Pistacia khinjuk Stocks, fam. Anacardiaceae 0.01%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.04%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.3%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.11%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.08%
Mastic gum (Spain) 61789-92-2 Pistacia lentiscus L., fam. Anacardiaceae 0.12%
Thyme red (Spain) 3 8007-46-3 Thymus zygis L., fam. Lamiaceae (Labiatae) 0.14%
Rosemary (Italy) 4 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 4.76%
Rosemary (Italy) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 8.36%
Annual wormwood (Yugoslavia) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 2.6%
Myrtle leaf (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Cistus (Spain) 2 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 2.0%
Thymus satureoides (Morocco) 8007-46-3 Thymus satureoides Boiss. et Reut., fam. Lamiaceae (Labiatae) 0.05%