Isokobusone

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  • Identifiers

    CAS number
    24173-72-6

    Molecular formula
    C14H22O2

    SMILES
    CC1(CC2C1CCC(=C)C(CCC2=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 72.83%
    Camphoreous 54.14%
    Mint 51.22%
    Herbal 46.89%
    Spicy 36.72%
    Cedar 36.52%
    Tobacco 35.46%
    Earthy 32.67%
    Cooling 32.66%
    Fresh 31.61%

     

    Flavor
    Bitter 48.34%
    Minty 47.32%
    Spicy 35.67%
    Herbal 31.6%
    Woody 31.33%
    Spice 28.35%
    Mint 26.44%
    Camphor 26.06%
    Sweet 25.74%
    Fresh 23.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.66 (weak base)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    384°C

    Melting point expt.

    • 108 - 109 °C

    Flash point

    • 145.36 ˚C est.

  • Synonyms

    • Isokobusone
    • 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
    • DTXSID00397482
    • 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo(7.2.0)undecan-2-one
    • RefChem:149453
    • DTXCID30348341
    • 24173-72-6
    • Spectrum_000706
    • Spectrum2_001773
    • Spectrum3_001201
    • Spectrum4_001459
    • Spectrum5_000077
    • BSPBio_002582
    • KBioGR_001977
    • KBioSS_001186
    • SPECTRUM300117
    • SPBio_001665
    • CHEMBL1522104
    • SCHEMBL30105485
    • KBio2_001186
    • KBio2_003754
    • KBio2_006322
    • KBio3_002082
    • CHEBI:108586
    • CCG-38422
    • STL446014
    • AKOS037482276
    • SDCCGMLS-0066540.P001
    • NCGC00095587-01
    • NCGC00095587-02
    • 6-Hydroxy-15-nor-7(14)-caryophyllen-3-one
    • SR-05000002462
    • SR-05000002462-1
    • BRD-A97152619-001-03-7
    • Q27187509
    • 5-hydroxy-11,11-dimethyl-4-methylene-8-bicyclo[7.2.0]undecanone
    • 24173-72-6

  • Applications

    Isokobusone (CAS 24173-72-6) is used as an intermediate in organic synthesis and may act as a fragrance ingredient in perfumery and cosmetics; it may also be employed as a fragrance additive in household products and cleaners; in industrial manufacturing it can function as a chemical intermediate or processing aid for polymers/plastics formulations; and it may be evaluated for use in coatings and inks where odor or processing properties are relevant; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 479.67
    methanol 586.95
    isopropanol 448.7
    water 2.1
    ethyl acetate 245.42
    n-propanol 351.48
    acetone 281.75
    n-butanol 340.58
    acetonitrile 229.15
    DMF 318.41
    toluene 160.65
    isobutanol 232.97
    1,4-dioxane 527.3
    methyl acetate 217.59
    THF 779.32
    2-butanone 252.18
    n-pentanol 139.54
    sec-butanol 189.29
    n-hexane 3.52
    ethylene glycol 79.41
    NMP 140.06
    cyclohexane 10.73
    DMSO 262.54
    n-butyl acetate 209.8
    n-octanol 76.74
    chloroform 529.73
    n-propyl acetate 153.33
    acetic acid 229.69
    dichloromethane 343.02
    cyclohexanone 259.06
    propylene glycol 122.02
    isopropyl acetate 194.16
    DMAc 238.78
    2-ethoxyethanol 256.63
    isopentanol 279.89
    n-heptane 4.45
    ethyl formate 189.38
    1,2-dichloroethane 184.2
    n-hexanol 199.86
    2-methoxyethanol 556.14
    isobutyl acetate 123.92
    tetrachloromethane 58.82
    n-pentyl acetate 108.29
    transcutol 966.44
    n-heptanol 93.53
    ethylbenzene 70.03
    MIBK 172.36
    2-propoxyethanol 378.83
    tert-butanol 389.46
    MTBE 212.17
    2-butoxyethanol 207.2
    propionic acid 147.91
    o-xylene 83.94
    formic acid 119.05
    diethyl ether 187.34
    m-xylene 114.17
    p-xylene 88.12
    chlorobenzene 162.19
    dimethyl carbonate 87.71
    n-octane 2.57
    formamide 193.9
    cyclopentanone 312.32
    2-pentanone 216.62
    anisole 179.69
    cyclopentyl methyl ether 182.99
    gamma-butyrolactone 331.1
    1-methoxy-2-propanol 461.82
    pyridine 322.31
    3-pentanone 114.5
    furfural 341.47
    n-dodecane 2.65
    diethylene glycol 299.58
    diisopropyl ether 54.44
    tert-amyl alcohol 176.21
    acetylacetone 253.38
    n-hexadecane 3.14
    acetophenone 155.19
    methyl propionate 167.28
    isopentyl acetate 206.43
    trichloroethylene 404.6
    n-nonanol 68.61
    cyclohexanol 146.96
    benzyl alcohol 165.4
    2-ethylhexanol 91.76
    isooctanol 80.13
    dipropyl ether 77.56
    1,2-dichlorobenzene 135.62
    ethyl lactate 92.38
    propylene carbonate 212.9
    n-methylformamide 216.94
    2-pentanol 168.86
    n-pentane 5.6
    1-propoxy-2-propanol 260.11
    1-methoxy-2-propyl acetate 238.4
    2-(2-methoxypropoxy) propanol 178.98
    mesitylene 63.81
    ε-caprolactone 229.36
    p-cymene 47.44
    epichlorohydrin 418.08
    1,1,1-trichloroethane 173.28
    2-aminoethanol 186.19
    morpholine-4-carbaldehyde 283.73
    sulfolane 227.51
    2,2,4-trimethylpentane 5.48
    2-methyltetrahydrofuran 302.24
    n-hexyl acetate 141.53
    isooctane 7.81
    2-(2-butoxyethoxy)ethanol 280.69
    sec-butyl acetate 120.93
    tert-butyl acetate 197.74
    decalin 7.68
    glycerin 167.34
    diglyme 463.86
    acrylic acid 120.89
    isopropyl myristate 53.14
    n-butyric acid 281.7
    acetyl acetate 157.62
    di(2-ethylhexyl) phthalate 69.3
    ethyl propionate 116.18
    nitromethane 293.14
    1,2-diethoxyethane 232.59
    benzonitrile 198.57
    trioctyl phosphate 46.33
    1-bromopropane 105.98
    gamma-valerolactone 431.82
    n-decanol 48.42
    triethyl phosphate 56.84
    4-methyl-2-pentanol 129.48
    propionitrile 208.75
    vinylene carbonate 216.31
    1,1,2-trichlorotrifluoroethane 255.16
    DMS 111.51
    cumene 50.83
    2-octanol 55.93
    2-hexanone 137.71
    octyl acetate 65.84
    limonene 51.69
    1,2-dimethoxyethane 392.01
    ethyl orthosilicate 56.7
    tributyl phosphate 54.23
    diacetone alcohol 229.04
    N,N-dimethylaniline 106.76
    acrylonitrile 228.86
    aniline 202.84
    1,3-propanediol 346.64
    bromobenzene 147.64
    dibromomethane 206.86
    1,1,2,2-tetrachloroethane 302.16
    2-methyl-cyclohexyl acetate 103.81
    tetrabutyl urea 64.18
    diisobutyl methanol 67.84
    2-phenylethanol 178.81
    styrene 82.71
    dioctyl adipate 75.38
    dimethyl sulfate 98.52
    ethyl butyrate 126.67
    methyl lactate 122.51
    butyl lactate 115.38
    diethyl carbonate 87.85
    propanediol butyl ether 197.2
    triethyl orthoformate 89.42
    p-tert-butyltoluene 49.22
    methyl 4-tert-butylbenzoate 133.67
    morpholine 549.9
    tert-butylamine 200.59
    n-dodecanol 34.17
    dimethoxymethane 302.69
    ethylene carbonate 186.92
    cyrene 144.09
    2-ethoxyethyl acetate 179.86
    2-ethylhexyl acetate 132.03
    1,2,4-trichlorobenzene 157.64
    4-methylpyridine 317.46
    dibutyl ether 65.09
    2,6-dimethyl-4-heptanol 67.84
    DEF 159.18
    dimethyl isosorbide 249.71
    tetrachloroethylene 185.43
    eugenol 146.29
    triacetin 148.01
    span 80 137.43
    1,4-butanediol 97.53
    1,1-dichloroethane 222.81
    2-methyl-1-pentanol 124.02
    methyl formate 161.2
    2-methyl-1-butanol 183.3
    n-decane 4.82
    butyronitrile 257.67
    3,7-dimethyl-1-octanol 93.94
    1-chlorooctane 29.82
    1-chlorotetradecane 10.49
    n-nonane 3.84
    undecane 3.45
    tert-butylcyclohexane 8.53
    cyclooctane 4.27
    cyclopentanol 154.55
    tetrahydropyran 383.01
    tert-amyl methyl ether 104.61
    2,5,8-trioxanonane 285.92
    1-hexene 25.05
    2-isopropoxyethanol 188.73
    2,2,2-trifluoroethanol 88.4
    methyl butyrate 154.95

    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