(1R,4S,5S,8S)-1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]decane-2,7-dione

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  • Identifiers

    CAS number
    185154-96-5

    Molecular formula
    C15H24O3

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.36%
    Camphoreous 49.34%
    Mint 49.09%
    Herbal 45.32%
    Cooling 40.26%
    Earthy 34.19%
    Spicy 30.82%
    Sweet 29.63%
    Tobacco 27.8%
    Fresh 27.66%

     

    Flavor
    Bitter 51.13%
    Sweet 42.88%
    Minty 36.78%
    Caramel 24.94%
    Fruity 23.29%
    Fenugreek 22.07%
    Maple 22.05%
    Leaves 21.24%
    Cotton candy 21.07%
    Cedarleaf 21.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.66 (neutral)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    394°C

    Flash point

    • 147.17 ˚C est.

  • Synonyms

    • 1-Hydroxyepiacorone
    • CHEBI:169594
    • DTXSID301134879
    • (1R,4S,5S,8S)-1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]decane-2,7-dione
    • 185154-96-5
    • (1R,4S,5S,8S)-1-Hydroxy-4,8-dimethyl-1-(1-methylethyl)spiro[4.5]decane-2,7-dione
    • (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
    • 185154-96-5

  • Applications

    Chemical name: (1R,4S,5S,8S)-1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]decane-2,7-dione; CAS number: 185154-96-5. In practice, this compound is often used as an intermediate in organic synthesis for pharmaceutical and agrochemical applications, and serves as a chiral building block for asymmetric synthesis. It is also evaluated for fragrance and flavor industry applications as a fragrance intermediate or aroma scaffold; in cosmetics and personal care, it may be explored as a scent-related ingredient or structural motif; and in specialty industrial manufacturing, it could function as a precursor for advanced materials or polymers, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 419.25
    methanol 917.53
    isopropanol 464.46
    water 16.1
    ethyl acetate 313.75
    n-propanol 405.29
    acetone 611.63
    n-butanol 335.75
    acetonitrile 389.27
    DMF 1294.79
    toluene 329.55
    isobutanol 285.3
    1,4-dioxane 864.88
    methyl acetate 364.75
    THF 1376.39
    2-butanone 410.76
    n-pentanol 132.25
    sec-butanol 211.17
    n-hexane 5.15
    ethylene glycol 147.29
    NMP 645.82
    cyclohexane 18.98
    DMSO 639.48
    n-butyl acetate 167.12
    n-octanol 70.18
    chloroform 1110.71
    n-propyl acetate 167.29
    acetic acid 447.25
    dichloromethane 810.45
    cyclohexanone 645.05
    propylene glycol 137.76
    isopropyl acetate 257.92
    DMAc 527.5
    2-ethoxyethanol 293.3
    isopentanol 240.01
    n-heptane 4.28
    ethyl formate 277.67
    1,2-dichloroethane 427.36
    n-hexanol 156.15
    2-methoxyethanol 695.9
    isobutyl acetate 121.21
    tetrachloromethane 179.65
    n-pentyl acetate 145.48
    transcutol 391.02
    n-heptanol 92.92
    ethylbenzene 115.97
    MIBK 218.65
    2-propoxyethanol 395.32
    tert-butanol 402.97
    MTBE 198.33
    2-butoxyethanol 208.88
    propionic acid 277.31
    o-xylene 165.41
    formic acid 335.97
    diethyl ether 221.29
    m-xylene 207.7
    p-xylene 159.96
    chlorobenzene 346.97
    dimethyl carbonate 232.66
    n-octane 2.96
    formamide 579.91
    cyclopentanone 977.61
    2-pentanone 320.08
    anisole 231.05
    cyclopentyl methyl ether 342.84
    gamma-butyrolactone 1053.16
    1-methoxy-2-propanol 474.46
    pyridine 691.48
    3-pentanone 238.77
    furfural 778.18
    n-dodecane 2.73
    diethylene glycol 356.0
    diisopropyl ether 66.74
    tert-amyl alcohol 181.59
    acetylacetone 486.19
    n-hexadecane 3.37
    acetophenone 240.5
    methyl propionate 281.81
    isopentyl acetate 167.79
    trichloroethylene 976.91
    n-nonanol 63.71
    cyclohexanol 260.97
    benzyl alcohol 244.85
    2-ethylhexanol 68.27
    isooctanol 74.88
    dipropyl ether 66.59
    1,2-dichlorobenzene 283.1
    ethyl lactate 100.57
    propylene carbonate 464.8
    n-methylformamide 726.7
    2-pentanol 166.2
    n-pentane 8.14
    1-propoxy-2-propanol 214.99
    1-methoxy-2-propyl acetate 228.28
    2-(2-methoxypropoxy) propanol 127.04
    mesitylene 113.27
    ε-caprolactone 477.84
    p-cymene 58.62
    epichlorohydrin 858.52
    1,1,1-trichloroethane 466.01
    2-aminoethanol 260.93
    morpholine-4-carbaldehyde 749.85
    sulfolane 840.82
    2,2,4-trimethylpentane 6.77
    2-methyltetrahydrofuran 484.78
    n-hexyl acetate 173.17
    isooctane 7.61
    2-(2-butoxyethoxy)ethanol 176.3
    sec-butyl acetate 125.9
    tert-butyl acetate 237.25
    decalin 12.1
    glycerin 244.72
    diglyme 405.74
    acrylic acid 296.14
    isopropyl myristate 56.31
    n-butyric acid 377.92
    acetyl acetate 296.97
    di(2-ethylhexyl) phthalate 75.58
    ethyl propionate 157.73
    nitromethane 892.06
    1,2-diethoxyethane 139.86
    benzonitrile 319.94
    trioctyl phosphate 54.28
    1-bromopropane 169.64
    gamma-valerolactone 1060.0
    n-decanol 41.64
    triethyl phosphate 66.47
    4-methyl-2-pentanol 101.95
    propionitrile 340.64
    vinylene carbonate 497.92
    1,1,2-trichlorotrifluoroethane 483.96
    DMS 201.92
    cumene 73.77
    2-octanol 61.96
    2-hexanone 144.08
    octyl acetate 73.54
    limonene 62.18
    1,2-dimethoxyethane 474.68
    ethyl orthosilicate 62.27
    tributyl phosphate 57.43
    diacetone alcohol 249.82
    N,N-dimethylaniline 148.12
    acrylonitrile 476.34
    aniline 385.22
    1,3-propanediol 407.06
    bromobenzene 336.24
    dibromomethane 406.66
    1,1,2,2-tetrachloroethane 671.52
    2-methyl-cyclohexyl acetate 108.6
    tetrabutyl urea 74.01
    diisobutyl methanol 49.51
    2-phenylethanol 217.91
    styrene 135.19
    dioctyl adipate 81.48
    dimethyl sulfate 369.3
    ethyl butyrate 116.53
    methyl lactate 188.85
    butyl lactate 112.99
    diethyl carbonate 88.65
    propanediol butyl ether 144.82
    triethyl orthoformate 85.27
    p-tert-butyltoluene 57.47
    methyl 4-tert-butylbenzoate 182.52
    morpholine 840.29
    tert-butylamine 170.22
    n-dodecanol 27.89
    dimethoxymethane 729.11
    ethylene carbonate 397.43
    cyrene 183.55
    2-ethoxyethyl acetate 210.44
    2-ethylhexyl acetate 122.48
    1,2,4-trichlorobenzene 318.82
    4-methylpyridine 611.74
    dibutyl ether 48.09
    2,6-dimethyl-4-heptanol 49.51
    DEF 307.1
    dimethyl isosorbide 287.28
    tetrachloroethylene 479.64
    eugenol 172.69
    triacetin 175.49
    span 80 114.59
    1,4-butanediol 121.72
    1,1-dichloroethane 470.82
    2-methyl-1-pentanol 103.46
    methyl formate 604.07
    2-methyl-1-butanol 186.1
    n-decane 5.28
    butyronitrile 293.84
    3,7-dimethyl-1-octanol 62.7
    1-chlorooctane 35.74
    1-chlorotetradecane 11.9
    n-nonane 4.46
    undecane 3.65
    tert-butylcyclohexane 10.67
    cyclooctane 5.9
    cyclopentanol 357.91
    tetrahydropyran 551.14
    tert-amyl methyl ether 113.04
    2,5,8-trioxanonane 219.4
    1-hexene 28.12
    2-isopropoxyethanol 183.4
    2,2,2-trifluoroethanol 275.18
    methyl butyrate 206.71

    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