7-Hydroxy-6,11-cyclofarnes-3(15)-en-2-one

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  • Identifiers

    CAS number
    145631-62-5

    Molecular formula
    C15H26O2

    SMILES
    CC(=O)C(=C)CCC1C(CCCC1(C)O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.29%
    Floral 49.12%
    Dry 45.84%
    Amber 42.64%
    Sweet 40.84%
    Cedar 38.59%
    Orris 37.02%
    Camphoreous 34.01%
    Musk 33.63%
    Tobacco 33.48%

     

    Flavor
    Woody 68.79%
    Floral 47.4%
    Sweet 44.29%
    Herbal 35.36%
    Minty 34.1%
    Orris 30.35%
    Violet 28.04%
    Dry 27.97%
    Camphor 27.32%
    Powdery 26.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.48 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 139.06 ˚C est.

  • Synonyms

    • 7-OH-Cyclofarnes-EO
    • 145631-62-5
    • 7-Hydroxy-6,11-cyclofarnes-3(15)-en-2-one
    • RefChem:106172
    • DTXSID50932660
    • 5-(2-hydroxy-2,6,6-trimethylcyclohexyl)-3-methylidenepentan-2-one
    • 2-Pentanone, 5-(2-hydroxy-2,6,6-trimethylcyclohexyl)-3-methylene-, cis-(-)-
    • 145631-62-5

  • Applications

    7-Hydroxy-6,11-cyclofarnes-3(15)-en-2-one (CAS 145631-62-5) is considered an aroma compound and fragrance intermediate in perfumery and personal care formulations; it can serve as a synthetic building block for sesquiterpene-derived fragrance ingredients in industrial manufacturing; it can act as a scented component in household products and air fresheners; it may be evaluated as a fragrance additive in coatings/inks; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1849.17
    methanol 1955.12
    isopropanol 1473.8
    water 2.9
    ethyl acetate 1517.7
    n-propanol 1704.47
    acetone 1589.56
    n-butanol 1562.35
    acetonitrile 895.67
    DMF 3015.39
    toluene 1136.3
    isobutanol 1199.53
    1,4-dioxane 2713.73
    methyl acetate 1142.07
    THF 4050.38
    2-butanone 1535.56
    n-pentanol 894.0
    sec-butanol 1409.51
    n-hexane 234.55
    ethylene glycol 195.72
    NMP 2030.21
    cyclohexane 352.83
    DMSO 1434.32
    n-butyl acetate 960.74
    n-octanol 320.35
    chloroform 2761.64
    n-propyl acetate 735.57
    acetic acid 1376.83
    dichloromethane 1869.06
    cyclohexanone 1995.07
    propylene glycol 416.05
    isopropyl acetate 1181.91
    DMAc 2097.69
    2-ethoxyethanol 1104.12
    isopentanol 1283.8
    n-heptane 86.25
    ethyl formate 811.19
    1,2-dichloroethane 1418.32
    n-hexanol 1144.26
    2-methoxyethanol 1964.5
    isobutyl acetate 492.86
    tetrachloromethane 531.7
    n-pentyl acetate 495.46
    transcutol 3570.1
    n-heptanol 371.5
    ethylbenzene 472.76
    MIBK 928.61
    2-propoxyethanol 1615.66
    tert-butanol 1775.67
    MTBE 2153.72
    2-butoxyethanol 685.44
    propionic acid 1005.17
    o-xylene 584.54
    formic acid 680.78
    diethyl ether 2030.77
    m-xylene 751.29
    p-xylene 517.27
    chlorobenzene 1049.27
    dimethyl carbonate 557.25
    n-octane 22.56
    formamide 992.47
    cyclopentanone 1958.68
    2-pentanone 1444.37
    anisole 901.88
    cyclopentyl methyl ether 1888.62
    gamma-butyrolactone 1916.4
    1-methoxy-2-propanol 1566.29
    pyridine 1778.2
    3-pentanone 1083.46
    furfural 1607.99
    n-dodecane 11.54
    diethylene glycol 861.27
    diisopropyl ether 669.5
    tert-amyl alcohol 1589.54
    acetylacetone 1235.65
    n-hexadecane 13.97
    acetophenone 658.69
    methyl propionate 1163.63
    isopentyl acetate 942.21
    trichloroethylene 2692.68
    n-nonanol 280.48
    cyclohexanol 1341.66
    benzyl alcohol 618.73
    2-ethylhexanol 504.63
    isooctanol 289.79
    dipropyl ether 703.17
    1,2-dichlorobenzene 758.67
    ethyl lactate 334.2
    propylene carbonate 1013.92
    n-methylformamide 1547.13
    2-pentanol 1073.95
    n-pentane 227.75
    1-propoxy-2-propanol 1058.96
    1-methoxy-2-propyl acetate 1202.91
    2-(2-methoxypropoxy) propanol 641.78
    mesitylene 428.22
    ε-caprolactone 1747.75
    p-cymene 225.25
    epichlorohydrin 2298.93
    1,1,1-trichloroethane 1571.91
    2-aminoethanol 722.62
    morpholine-4-carbaldehyde 2157.39
    sulfolane 1653.03
    2,2,4-trimethylpentane 114.36
    2-methyltetrahydrofuran 2776.56
    n-hexyl acetate 722.2
    isooctane 87.42
    2-(2-butoxyethoxy)ethanol 979.12
    sec-butyl acetate 676.18
    tert-butyl acetate 1283.39
    decalin 142.84
    glycerin 534.12
    diglyme 1830.23
    acrylic acid 755.54
    isopropyl myristate 222.51
    n-butyric acid 1452.46
    acetyl acetate 837.15
    di(2-ethylhexyl) phthalate 226.17
    ethyl propionate 688.69
    nitromethane 1902.66
    1,2-diethoxyethane 1143.28
    benzonitrile 679.86
    trioctyl phosphate 159.87
    1-bromopropane 1074.93
    gamma-valerolactone 2645.51
    n-decanol 176.79
    triethyl phosphate 286.94
    4-methyl-2-pentanol 603.02
    propionitrile 963.17
    vinylene carbonate 918.5
    1,1,2-trichlorotrifluoroethane 1478.21
    DMS 642.69
    cumene 294.19
    2-octanol 227.59
    2-hexanone 798.53
    octyl acetate 285.75
    limonene 353.01
    1,2-dimethoxyethane 1852.49
    ethyl orthosilicate 315.97
    tributyl phosphate 229.83
    diacetone alcohol 1152.39
    N,N-dimethylaniline 598.19
    acrylonitrile 954.95
    aniline 1305.63
    1,3-propanediol 1010.23
    bromobenzene 1023.85
    dibromomethane 1356.86
    1,1,2,2-tetrachloroethane 2175.99
    2-methyl-cyclohexyl acetate 499.57
    tetrabutyl urea 266.27
    diisobutyl methanol 253.42
    2-phenylethanol 674.03
    styrene 580.38
    dioctyl adipate 316.01
    dimethyl sulfate 755.98
    ethyl butyrate 603.12
    methyl lactate 544.57
    butyl lactate 423.78
    diethyl carbonate 396.99
    propanediol butyl ether 610.66
    triethyl orthoformate 514.95
    p-tert-butyltoluene 241.55
    methyl 4-tert-butylbenzoate 541.71
    morpholine 3497.4
    tert-butylamine 1333.17
    n-dodecanol 114.69
    dimethoxymethane 1873.25
    ethylene carbonate 876.55
    cyrene 522.7
    2-ethoxyethyl acetate 784.81
    2-ethylhexyl acetate 713.91
    1,2,4-trichlorobenzene 946.52
    4-methylpyridine 1983.94
    dibutyl ether 426.48
    2,6-dimethyl-4-heptanol 253.42
    DEF 1513.67
    dimethyl isosorbide 1023.37
    tetrachloroethylene 1433.91
    eugenol 462.93
    triacetin 585.52
    span 80 504.53
    1,4-butanediol 307.27
    1,1-dichloroethane 1612.59
    2-methyl-1-pentanol 772.46
    methyl formate 942.6
    2-methyl-1-butanol 1235.43
    n-decane 28.91
    butyronitrile 1065.01
    3,7-dimethyl-1-octanol 363.02
    1-chlorooctane 189.73
    1-chlorotetradecane 48.32
    n-nonane 28.08
    undecane 17.06
    tert-butylcyclohexane 130.28
    cyclooctane 107.87
    cyclopentanol 1183.24
    tetrahydropyran 3176.48
    tert-amyl methyl ether 1485.48
    2,5,8-trioxanonane 1033.79
    1-hexene 654.96
    2-isopropoxyethanol 742.36
    2,2,2-trifluoroethanol 510.79
    methyl butyrate 852.89

    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