Isocyperol

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  • Identifiers

    CAS number
    20085-00-1

    Molecular formula
    C15H24O

    SMILES
    CC(=C)[C@@H]1CC[C@]2(CC[C@H](C(=C)C2C1)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.43%
    Sweet 64.51%
    Herbal 63.2%
    Mint 57.2%
    Camphoreous 52.65%
    Spicy 52.44%
    Citrus 52.27%
    Fresh 50.06%
    Terpenic 44.43%
    Pine 43.65%

     

    Flavor
    Herbal 57.8%
    Woody 48.47%
    Minty 45.21%
    Fresh 42.14%
    Spice 41.06%
    Herb 38.48%
    Mint 34.97%
    Camphor 30.49%
    Spicy 29.28%
    Wood 29.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.15 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 120.9 ˚C est.

  • Synonyms

    • Isocyperol
    • RefChem:923670
    • 4a-Methyl-1-methylidene-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
    • 20085-00-1
    • CHEMBL489542
    • SCHEMBL29477342
    • CZFHAODYOVXPIQ-FFHGMXDLSA-N
    • 20085-00-1

  • Applications

    Isocyperol (CAS 20085-00-1) is primarily used as a fragrance ingredient and odorant, often evaluated for its role as a fixative in perfumery formulations. It can also be employed in cosmetics and personal care as a fragrance component, contributing to scent notes in products such as moisturizers and cleansers. In household and cleaning products, it may be added to enhance fragrance. In industrial manufacturing, it may serve as an intermediate in the synthesis of aroma chemicals or as a component in coatings and inks with a defined odor profile. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 814.11
    methanol 673.01
    isopropanol 761.22
    water 0.45
    ethyl acetate 782.22
    n-propanol 784.85
    acetone 506.92
    n-butanol 785.66
    acetonitrile 431.01
    DMF 488.3
    toluene 603.05
    isobutanol 408.84
    1,4-dioxane 1634.37
    methyl acetate 468.25
    THF 2053.48
    2-butanone 560.32
    n-pentanol 210.63
    sec-butanol 323.65
    n-hexane 12.98
    ethylene glycol 33.72
    NMP 133.91
    cyclohexane 58.98
    DMSO 233.13
    n-butyl acetate 613.79
    n-octanol 109.61
    chloroform 966.02
    n-propyl acetate 299.18
    acetic acid 187.76
    dichloromethane 668.04
    cyclohexanone 526.33
    propylene glycol 68.63
    isopropyl acetate 503.48
    DMAc 283.64
    2-ethoxyethanol 332.56
    isopentanol 538.07
    n-heptane 21.51
    ethyl formate 344.09
    1,2-dichloroethane 454.75
    n-hexanol 475.67
    2-methoxyethanol 926.16
    isobutyl acetate 200.77
    tetrachloromethane 142.5
    n-pentyl acetate 240.53
    transcutol 1867.93
    n-heptanol 158.0
    ethylbenzene 142.22
    MIBK 323.14
    2-propoxyethanol 790.05
    tert-butanol 722.99
    MTBE 774.93
    2-butoxyethanol 329.95
    propionic acid 200.38
    o-xylene 194.11
    formic acid 64.25
    diethyl ether 990.01
    m-xylene 316.2
    p-xylene 168.84
    chlorobenzene 349.57
    dimethyl carbonate 141.48
    n-octane 7.31
    formamide 152.19
    cyclopentanone 577.63
    2-pentanone 547.13
    anisole 316.06
    cyclopentyl methyl ether 520.08
    gamma-butyrolactone 545.17
    1-methoxy-2-propanol 700.22
    pyridine 893.83
    3-pentanone 296.4
    furfural 454.42
    n-dodecane 4.65
    diethylene glycol 317.32
    diisopropyl ether 200.18
    tert-amyl alcohol 284.05
    acetylacetone 452.1
    n-hexadecane 5.74
    acetophenone 196.6
    methyl propionate 406.66
    isopentyl acetate 519.3
    trichloroethylene 745.61
    n-nonanol 99.41
    cyclohexanol 284.16
    benzyl alcohol 195.82
    2-ethylhexanol 204.79
    isooctanol 125.69
    dipropyl ether 401.22
    1,2-dichlorobenzene 236.55
    ethyl lactate 94.32
    propylene carbonate 284.1
    n-methylformamide 338.47
    2-pentanol 349.69
    n-pentane 29.93
    1-propoxy-2-propanol 572.67
    1-methoxy-2-propyl acetate 576.8
    2-(2-methoxypropoxy) propanol 259.09
    mesitylene 161.42
    ε-caprolactone 437.05
    p-cymene 105.45
    epichlorohydrin 847.62
    1,1,1-trichloroethane 370.92
    2-aminoethanol 150.0
    morpholine-4-carbaldehyde 452.62
    sulfolane 260.29
    2,2,4-trimethylpentane 14.25
    2-methyltetrahydrofuran 818.8
    n-hexyl acetate 274.28
    isooctane 21.77
    2-(2-butoxyethoxy)ethanol 455.59
    sec-butyl acetate 220.16
    tert-butyl acetate 456.73
    decalin 18.11
    glycerin 93.97
    diglyme 885.31
    acrylic acid 113.64
    isopropyl myristate 92.01
    n-butyric acid 548.04
    acetyl acetate 300.51
    di(2-ethylhexyl) phthalate 93.75
    ethyl propionate 240.67
    nitromethane 342.8
    1,2-diethoxyethane 793.48
    benzonitrile 302.42
    trioctyl phosphate 61.58
    1-bromopropane 303.48
    gamma-valerolactone 800.95
    n-decanol 66.24
    triethyl phosphate 100.05
    4-methyl-2-pentanol 217.18
    propionitrile 546.66
    vinylene carbonate 307.15
    1,1,2-trichlorotrifluoroethane 264.53
    DMS 185.27
    cumene 85.84
    2-octanol 83.22
    2-hexanone 227.09
    octyl acetate 109.08
    limonene 127.52
    1,2-dimethoxyethane 773.18
    ethyl orthosilicate 111.55
    tributyl phosphate 80.99
    diacetone alcohol 357.51
    N,N-dimethylaniline 161.61
    acrylonitrile 458.24
    aniline 466.08
    1,3-propanediol 444.95
    bromobenzene 356.46
    dibromomethane 448.66
    1,1,2,2-tetrachloroethane 523.38
    2-methyl-cyclohexyl acetate 182.64
    tetrabutyl urea 91.36
    diisobutyl methanol 146.11
    2-phenylethanol 310.4
    styrene 174.69
    dioctyl adipate 120.74
    dimethyl sulfate 108.93
    ethyl butyrate 350.39
    methyl lactate 127.18
    butyl lactate 163.93
    diethyl carbonate 191.77
    propanediol butyl ether 218.66
    triethyl orthoformate 240.68
    p-tert-butyltoluene 118.15
    methyl 4-tert-butylbenzoate 200.97
    morpholine 1731.27
    tert-butylamine 464.85
    n-dodecanol 46.18
    dimethoxymethane 799.25
    ethylene carbonate 293.66
    cyrene 143.5
    2-ethoxyethyl acetate 376.88
    2-ethylhexyl acetate 353.92
    1,2,4-trichlorobenzene 252.99
    4-methylpyridine 766.36
    dibutyl ether 197.58
    2,6-dimethyl-4-heptanol 146.11
    DEF 357.77
    dimethyl isosorbide 429.85
    tetrachloroethylene 334.88
    eugenol 184.39
    triacetin 206.88
    span 80 194.04
    1,4-butanediol 60.05
    1,1-dichloroethane 479.87
    2-methyl-1-pentanol 157.19
    methyl formate 211.84
    2-methyl-1-butanol 324.93
    n-decane 10.19
    butyronitrile 654.95
    3,7-dimethyl-1-octanol 142.78
    1-chlorooctane 60.12
    1-chlorotetradecane 18.4
    n-nonane 9.03
    undecane 6.51
    tert-butylcyclohexane 19.84
    cyclooctane 19.08
    cyclopentanol 255.18
    tetrahydropyran 1492.68
    tert-amyl methyl ether 273.18
    2,5,8-trioxanonane 477.13
    1-hexene 80.72
    2-isopropoxyethanol 221.94
    2,2,2-trifluoroethanol 54.47
    methyl butyrate 291.08

    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