11,21-Dihydroxygammaceran-1-one

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  • Identifiers

    CAS number
    87018-23-3

    Molecular formula
    C30H50O3

    SMILES
    CC1(CCC(=O)C2(C1CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.67%
    Camphoreous 55.95%
    Cedar 51.33%
    Earthy 50.31%
    Amber 50.16%
    Dry 47.18%
    Balsamic 47.06%
    Pine 46.74%
    Herbal 44.45%
    Sweet 42.35%

     

    Flavor
    Woody 71.08%
    Camphor 62.5%
    Pine 53.43%
    Herbal 47.47%
    Balsam 44.56%
    Earthy 42.6%
    Sweet 42.47%
    Spicy 39.72%
    Earth 35.33%
    Dry 34.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    6.72 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    100°C

    Flash point

    • 254.7 ˚C est.

  • Synonyms

    • 11,21-Dihydroxygammaceran-1-one
    • DTXSID901288347
    • (11I(2))-11,21-Dihydroxygammaceran-1-one
    • 87018-23-3
    • 87018-23-3

  • Applications

    11,21-Dihydroxygammaceran-1-one (CAS 87018-23-3) may be used primarily as an intermediate in organic synthesis for specialty chemicals, including pharmaceutical and agrochemical production. It can serve as a building block for specialty polymers and plastics, where its diol and ketone functionality enables incorporation into polyesters, polyurethanes, or crosslinked resin systems. In coatings and inks, it may act as a reactive diol component that participates in crosslinking reactions, contributing to film properties. It may also be evaluated as a processing aid or solvent in niche industrial manufacturing applications, and could find use in cosmetics or personal care as a synthetic intermediate under formulation constraints. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.34
    methanol 15.8
    isopropanol 17.29
    water 0.02
    ethyl acetate 10.06
    n-propanol 26.27
    acetone 17.04
    n-butanol 18.65
    acetonitrile 5.59
    DMF 104.19
    toluene 13.1
    isobutanol 14.75
    1,4-dioxane 51.37
    methyl acetate 9.4
    THF 118.33
    2-butanone 17.33
    n-pentanol 11.5
    sec-butanol 7.6
    n-hexane 0.45
    ethylene glycol 2.76
    NMP 53.8
    cyclohexane 0.57
    DMSO 28.92
    n-butyl acetate 10.93
    n-octanol 5.74
    chloroform 29.4
    n-propyl acetate 7.66
    acetic acid 12.98
    dichloromethane 15.85
    cyclohexanone 25.93
    propylene glycol 5.09
    isopropyl acetate 10.35
    DMAc 50.96
    2-ethoxyethanol 24.58
    isopentanol 11.19
    n-heptane 0.47
    ethyl formate 6.49
    1,2-dichloroethane 11.48
    n-hexanol 14.18
    2-methoxyethanol 43.46
    isobutyl acetate 7.82
    tetrachloromethane 5.02
    n-pentyl acetate 14.81
    transcutol 41.1
    n-heptanol 10.31
    ethylbenzene 5.25
    MIBK 11.02
    2-propoxyethanol 58.25
    tert-butanol 10.61
    MTBE 7.81
    2-butoxyethanol 33.07
    propionic acid 9.75
    o-xylene 5.95
    formic acid 5.57
    diethyl ether 13.48
    m-xylene 8.2
    p-xylene 5.75
    chlorobenzene 12.07
    dimethyl carbonate 12.55
    n-octane 0.19
    formamide 8.51
    cyclopentanone 45.58
    2-pentanone 15.13
    anisole 14.07
    cyclopentyl methyl ether 24.0
    gamma-butyrolactone 40.4
    1-methoxy-2-propanol 45.02
    pyridine 39.57
    3-pentanone 12.14
    furfural 31.73
    n-dodecane 0.09
    diethylene glycol 28.02
    diisopropyl ether 3.42
    tert-amyl alcohol 5.15
    acetylacetone 17.82
    n-hexadecane 0.11
    acetophenone 13.04
    methyl propionate 14.96
    isopentyl acetate 12.4
    trichloroethylene 25.85
    n-nonanol 6.63
    cyclohexanol 7.87
    benzyl alcohol 15.04
    2-ethylhexanol 5.91
    isooctanol 7.87
    dipropyl ether 9.11
    1,2-dichlorobenzene 10.37
    ethyl lactate 7.46
    propylene carbonate 14.6
    n-methylformamide 25.37
    2-pentanol 6.92
    n-pentane 0.54
    1-propoxy-2-propanol 34.87
    1-methoxy-2-propyl acetate 25.7
    2-(2-methoxypropoxy) propanol 18.56
    mesitylene 3.98
    ε-caprolactone 22.69
    p-cymene 3.79
    epichlorohydrin 46.0
    1,1,1-trichloroethane 10.19
    2-aminoethanol 11.58
    morpholine-4-carbaldehyde 72.46
    sulfolane 41.5
    2,2,4-trimethylpentane 0.32
    2-methyltetrahydrofuran 25.24
    n-hexyl acetate 14.41
    isooctane 0.32
    2-(2-butoxyethoxy)ethanol 27.16
    sec-butyl acetate 5.99
    tert-butyl acetate 11.9
    decalin 0.51
    glycerin 9.74
    diglyme 49.13
    acrylic acid 9.7
    isopropyl myristate 4.34
    n-butyric acid 15.26
    acetyl acetate 8.8
    di(2-ethylhexyl) phthalate 8.08
    ethyl propionate 8.04
    nitromethane 18.81
    1,2-diethoxyethane 14.06
    benzonitrile 11.38
    trioctyl phosphate 5.71
    1-bromopropane 6.31
    gamma-valerolactone 73.84
    n-decanol 3.51
    triethyl phosphate 5.8
    4-methyl-2-pentanol 5.19
    propionitrile 9.92
    vinylene carbonate 16.99
    1,1,2-trichlorotrifluoroethane 27.91
    DMS 13.17
    cumene 3.39
    2-octanol 4.49
    2-hexanone 9.79
    octyl acetate 6.41
    limonene 3.87
    1,2-dimethoxyethane 36.24
    ethyl orthosilicate 6.14
    tributyl phosphate 4.75
    diacetone alcohol 15.47
    N,N-dimethylaniline 10.68
    acrylonitrile 12.56
    aniline 15.9
    1,3-propanediol 19.31
    bromobenzene 11.04
    dibromomethane 10.84
    1,1,2,2-tetrachloroethane 21.15
    2-methyl-cyclohexyl acetate 10.11
    tetrabutyl urea 7.46
    diisobutyl methanol 3.54
    2-phenylethanol 19.78
    styrene 5.65
    dioctyl adipate 8.35
    dimethyl sulfate 18.57
    ethyl butyrate 8.25
    methyl lactate 13.2
    butyl lactate 14.84
    diethyl carbonate 5.6
    propanediol butyl ether 20.93
    triethyl orthoformate 9.01
    p-tert-butyltoluene 3.98
    methyl 4-tert-butylbenzoate 20.03
    morpholine 69.62
    tert-butylamine 5.0
    n-dodecanol 1.85
    dimethoxymethane 68.61
    ethylene carbonate 13.77
    cyrene 21.74
    2-ethoxyethyl acetate 23.62
    2-ethylhexyl acetate 9.48
    1,2,4-trichlorobenzene 14.97
    4-methylpyridine 28.02
    dibutyl ether 3.59
    2,6-dimethyl-4-heptanol 3.54
    DEF 18.27
    dimethyl isosorbide 33.02
    tetrachloroethylene 15.78
    eugenol 21.02
    triacetin 15.54
    span 80 16.5
    1,4-butanediol 7.12
    1,1-dichloroethane 10.02
    2-methyl-1-pentanol 6.75
    methyl formate 14.84
    2-methyl-1-butanol 9.43
    n-decane 0.26
    butyronitrile 9.12
    3,7-dimethyl-1-octanol 4.67
    1-chlorooctane 1.86
    1-chlorotetradecane 0.42
    n-nonane 0.22
    undecane 0.14
    tert-butylcyclohexane 0.47
    cyclooctane 0.3
    cyclopentanol 13.74
    tetrahydropyran 30.39
    tert-amyl methyl ether 5.26
    2,5,8-trioxanonane 27.71
    1-hexene 2.04
    2-isopropoxyethanol 15.98
    2,2,2-trifluoroethanol 6.02
    methyl butyrate 9.09

    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