(+)-Bicyclohumulenone

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  • Identifiers

    CAS number
    71493-03-3

    Molecular formula
    C15H24O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.48%
    Herbal 54.3%
    Fruity 46.27%
    Camphoreous 43.71%
    Tobacco 43.28%
    Spicy 42.27%
    Mint 41.87%
    Fresh 39.41%
    Cedar 37.0%
    Earthy 35.77%

     

    Flavor
    Woody 48.18%
    Camphor 40.09%
    Minty 34.82%
    Herbal 33.82%
    Spicy 33.12%
    Earthy 31.07%
    Tobacco 26.84%
    Dry 26.42%
    Fresh 25.85%
    Musty 25.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.9 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 112.09 ˚C est.

  • Synonyms

    • (+)-Bicyclohumulenone
    • (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
    • (1S,5E,10S)-1,5,8,8-tetramethylbicyclo(8.1.0)undec-5-en-2-one
    • RefChem:67288
    • 71493-03-3
    • CHEBI:187588
    • LMPR0103130001
    • 71493-03-3

  • Applications

    (+)-Bicyclohumulenone, CAS 71493-03-3, is used as an aroma and fragrance component in perfumery formulations; it may be employed as a fragrance ingredient in cosmetics and personal care products; it is occasionally evaluated as a flavor/aroma ingredient in food-processing contexts; it can serve as an intermediate in the synthesis of other aroma compounds in industrial manufacturing; and it may appear as a fragrance-related additive in household products such as cleaners and air-freshening formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 181.03
    methanol 103.27
    isopropanol 217.02
    water 0.36
    ethyl acetate 238.87
    n-propanol 192.69
    acetone 288.35
    n-butanol 189.9
    acetonitrile 184.82
    DMF 300.48
    toluene 262.11
    isobutanol 176.72
    1,4-dioxane 386.34
    methyl acetate 266.64
    THF 547.85
    2-butanone 373.0
    n-pentanol 145.25
    sec-butanol 198.66
    n-hexane 22.21
    ethylene glycol 37.83
    NMP 248.73
    cyclohexane 40.99
    DMSO 154.24
    n-butyl acetate 252.27
    n-octanol 132.42
    chloroform 634.35
    n-propyl acetate 195.12
    acetic acid 111.08
    dichloromethane 423.04
    cyclohexanone 384.99
    propylene glycol 93.77
    isopropyl acetate 209.04
    DMAc 342.03
    2-ethoxyethanol 197.31
    isopentanol 191.43
    n-heptane 25.76
    ethyl formate 141.82
    1,2-dichloroethane 226.6
    n-hexanol 206.98
    2-methoxyethanol 248.81
    isobutyl acetate 179.97
    tetrachloromethane 86.66
    n-pentyl acetate 180.78
    transcutol 459.17
    n-heptanol 129.34
    ethylbenzene 169.16
    MIBK 213.68
    2-propoxyethanol 305.32
    tert-butanol 236.78
    MTBE 257.01
    2-butoxyethanol 208.88
    propionic acid 129.95
    o-xylene 177.77
    formic acid 27.12
    diethyl ether 194.09
    m-xylene 205.22
    p-xylene 229.7
    chlorobenzene 232.48
    dimethyl carbonate 98.72
    n-octane 15.22
    formamide 53.05
    cyclopentanone 412.88
    2-pentanone 263.65
    anisole 279.51
    cyclopentyl methyl ether 242.89
    gamma-butyrolactone 360.13
    1-methoxy-2-propanol 264.43
    pyridine 367.34
    3-pentanone 217.7
    furfural 313.72
    n-dodecane 15.71
    diethylene glycol 191.74
    diisopropyl ether 90.26
    tert-amyl alcohol 194.53
    acetylacetone 274.82
    n-hexadecane 18.14
    acetophenone 257.83
    methyl propionate 205.03
    isopentyl acetate 277.5
    trichloroethylene 485.91
    n-nonanol 122.1
    cyclohexanol 184.3
    benzyl alcohol 204.76
    2-ethylhexanol 148.09
    isooctanol 118.11
    dipropyl ether 139.21
    1,2-dichlorobenzene 206.58
    ethyl lactate 120.81
    propylene carbonate 237.68
    n-methylformamide 112.99
    2-pentanol 157.15
    n-pentane 24.78
    1-propoxy-2-propanol 255.82
    1-methoxy-2-propyl acetate 275.54
    2-(2-methoxypropoxy) propanol 224.27
    mesitylene 129.53
    ε-caprolactone 322.81
    p-cymene 121.23
    epichlorohydrin 416.81
    1,1,1-trichloroethane 302.9
    2-aminoethanol 91.42
    morpholine-4-carbaldehyde 335.47
    sulfolane 305.93
    2,2,4-trimethylpentane 22.22
    2-methyltetrahydrofuran 388.77
    n-hexyl acetate 259.04
    isooctane 22.46
    2-(2-butoxyethoxy)ethanol 254.85
    sec-butyl acetate 176.04
    tert-butyl acetate 228.34
    decalin 36.28
    glycerin 91.89
    diglyme 380.52
    acrylic acid 102.45
    isopropyl myristate 125.76
    n-butyric acid 185.17
    acetyl acetate 163.87
    di(2-ethylhexyl) phthalate 123.96
    ethyl propionate 167.7
    nitromethane 201.14
    1,2-diethoxyethane 207.38
    benzonitrile 268.13
    trioctyl phosphate 90.93
    1-bromopropane 191.99
    gamma-valerolactone 488.37
    n-decanol 94.93
    triethyl phosphate 98.83
    4-methyl-2-pentanol 127.46
    propionitrile 206.37
    vinylene carbonate 221.39
    1,1,2-trichlorotrifluoroethane 273.08
    DMS 190.59
    cumene 126.53
    2-octanol 102.71
    2-hexanone 240.21
    octyl acetate 149.29
    limonene 133.2
    1,2-dimethoxyethane 326.25
    ethyl orthosilicate 95.32
    tributyl phosphate 99.26
    diacetone alcohol 232.15
    N,N-dimethylaniline 184.08
    acrylonitrile 213.17
    aniline 208.37
    1,3-propanediol 138.01
    bromobenzene 253.99
    dibromomethane 306.58
    1,1,2,2-tetrachloroethane 396.54
    2-methyl-cyclohexyl acetate 198.73
    tetrabutyl urea 121.25
    diisobutyl methanol 104.95
    2-phenylethanol 235.24
    styrene 179.71
    dioctyl adipate 151.75
    dimethyl sulfate 119.76
    ethyl butyrate 184.73
    methyl lactate 124.82
    butyl lactate 157.74
    diethyl carbonate 127.5
    propanediol butyl ether 199.7
    triethyl orthoformate 135.18
    p-tert-butyltoluene 121.68
    methyl 4-tert-butylbenzoate 217.56
    morpholine 399.82
    tert-butylamine 162.57
    n-dodecanol 76.25
    dimethoxymethane 233.35
    ethylene carbonate 187.83
    cyrene 204.76
    2-ethoxyethyl acetate 227.64
    2-ethylhexyl acetate 215.75
    1,2,4-trichlorobenzene 256.55
    4-methylpyridine 407.12
    dibutyl ether 128.97
    2,6-dimethyl-4-heptanol 104.95
    DEF 223.99
    dimethyl isosorbide 333.93
    tetrachloroethylene 225.17
    eugenol 199.1
    triacetin 250.24
    span 80 198.46
    1,4-butanediol 75.62
    1,1-dichloroethane 314.76
    2-methyl-1-pentanol 153.69
    methyl formate 94.73
    2-methyl-1-butanol 178.23
    n-decane 24.33
    butyronitrile 224.17
    3,7-dimethyl-1-octanol 147.66
    1-chlorooctane 92.42
    1-chlorotetradecane 41.6
    n-nonane 21.28
    undecane 19.11
    tert-butylcyclohexane 36.62
    cyclooctane 20.44
    cyclopentanol 189.97
    tetrahydropyran 360.76
    tert-amyl methyl ether 176.63
    2,5,8-trioxanonane 265.89
    1-hexene 90.81
    2-isopropoxyethanol 174.7
    2,2,2-trifluoroethanol 55.07
    methyl butyrate 215.9

    Scent© AI

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