1H-3b,8-(Epoxyethano)cyclopent[a]inden-10-one, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-2-(2-hydroxy-1-methylethyl)-3,5,8-trimethyl-

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  • Identifiers

    CAS number
    73599-11-8

    Molecular formula
    C20H30O7

    SMILES
    CC1CCC2(C3(CC(=O)OC2(C1O)C4(C3(CC(=C4C)C(C)CO)O)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.18%
    Woody 41.37%
    Sweet 34.54%
    Cooling 25.49%
    Spicy 24.96%
    Balsamic 22.88%
    Mint 20.98%
    Camphoreous 20.69%
    Dry 20.52%
    Earthy 18.42%

     

    Flavor
    Bitter 72.97%
    Odorless 27.06%
    Sweet 26.29%
    Sweet-like 25.67%
    Fatty 23.92%
    Cedarleaf 21.4%
    Bland 21.19%
    Fenugreek 20.59%
    Patchouli 20.46%
    Cotton candy 20.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    7.72 (neutral)

    Molecular weight
    382.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    1733°C

    Melting point expt.

    • 172 - 174 °C

    Flash point

    • 255.46 ˚C est.

  • Synonyms

    • 1H-3b,8-(Epoxyethano)cyclopent[a]inden-10-one, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-2-(2-hydroxy-1-methylethyl)-3,5,8-trimethyl-
    • 73599-11-8
    • 1H-3b,8-(Epoxyethano)cyclopent(a)inden-10-one, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-2-(2-hydroxy-1-methylethyl)-3,5,8-trimethyl-
    • RefChem:237337
    • Sincassiol?
    • DTXSID201100776
    • 73599-11-8

  • Applications

    CAS 73599-11-8, 1H-3b,8-(Epoxyethano)cyclopent[a]inden-10-one, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-2-(2-hydroxy-1-methylethyl)-3,5,8-trimethyl- may be used in cosmetics/personal care as a multifunctional polyhydroxy component or cosmetic ingredient; in polymer/plastics formulations as a polyol crosslinker or reactive modifier for polyurethane or epoxy systems; in coatings/inks as a resin modifier or potential stabilizer; in adhesives as a resin modifier or curing component; and as a fragrance intermediate or odorant/fixative in perfumery under appropriate regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.81
    methanol 76.24
    isopropanol 11.27
    water 2.91
    ethyl acetate 5.67
    n-propanol 12.12
    acetone 19.28
    n-butanol 9.87
    acetonitrile 5.55
    DMF 99.62
    toluene 2.56
    isobutanol 6.33
    1,4-dioxane 31.48
    methyl acetate 6.26
    THF 51.0
    2-butanone 10.61
    n-pentanol 7.34
    sec-butanol 4.31
    n-hexane 0.15
    ethylene glycol 26.29
    NMP 60.24
    cyclohexane 0.35
    DMSO 123.62
    n-butyl acetate 6.47
    n-octanol 3.74
    chloroform 9.44
    n-propyl acetate 5.04
    acetic acid 22.03
    dichloromethane 9.11
    cyclohexanone 25.83
    propylene glycol 12.5
    isopropyl acetate 5.28
    DMAc 50.22
    2-ethoxyethanol 29.21
    isopentanol 7.0
    n-heptane 0.16
    ethyl formate 10.27
    1,2-dichloroethane 7.64
    n-hexanol 8.21
    2-methoxyethanol 68.12
    isobutyl acetate 3.77
    tetrachloromethane 2.61
    n-pentyl acetate 7.88
    transcutol 14.92
    n-heptanol 6.9
    ethylbenzene 1.79
    MIBK 7.6
    2-propoxyethanol 37.64
    tert-butanol 9.44
    MTBE 1.93
    2-butoxyethanol 23.19
    propionic acid 8.05
    o-xylene 2.15
    formic acid 56.24
    diethyl ether 3.59
    m-xylene 2.34
    p-xylene 2.39
    chlorobenzene 3.66
    dimethyl carbonate 10.88
    n-octane 0.14
    formamide 59.52
    cyclopentanone 41.87
    2-pentanone 9.66
    anisole 4.07
    cyclopentyl methyl ether 8.7
    gamma-butyrolactone 38.33
    1-methoxy-2-propanol 39.63
    pyridine 16.56
    3-pentanone 6.13
    furfural 34.51
    n-dodecane 0.11
    diethylene glycol 57.96
    diisopropyl ether 0.97
    tert-amyl alcohol 3.66
    acetylacetone 17.4
    n-hexadecane 0.13
    acetophenone 9.11
    methyl propionate 7.69
    isopentyl acetate 6.3
    trichloroethylene 14.29
    n-nonanol 3.94
    cyclohexanol 6.49
    benzyl alcohol 10.26
    2-ethylhexanol 3.26
    isooctanol 5.0
    dipropyl ether 2.3
    1,2-dichlorobenzene 4.18
    ethyl lactate 7.67
    propylene carbonate 15.48
    n-methylformamide 44.42
    2-pentanol 3.37
    n-pentane 0.16
    1-propoxy-2-propanol 16.16
    1-methoxy-2-propyl acetate 13.25
    2-(2-methoxypropoxy) propanol 11.5
    mesitylene 1.63
    ε-caprolactone 17.72
    p-cymene 1.75
    epichlorohydrin 34.3
    1,1,1-trichloroethane 3.63
    2-aminoethanol 26.26
    morpholine-4-carbaldehyde 66.4
    sulfolane 69.23
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 11.09
    n-hexyl acetate 6.85
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 15.06
    sec-butyl acetate 3.06
    tert-butyl acetate 6.21
    decalin 0.25
    glycerin 39.94
    diglyme 27.05
    acrylic acid 12.81
    isopropyl myristate 2.63
    n-butyric acid 10.58
    acetyl acetate 6.6
    di(2-ethylhexyl) phthalate 5.93
    ethyl propionate 4.2
    nitromethane 37.98
    1,2-diethoxyethane 5.61
    benzonitrile 8.79
    trioctyl phosphate 5.01
    1-bromopropane 2.21
    gamma-valerolactone 67.62
    n-decanol 2.54
    triethyl phosphate 3.64
    4-methyl-2-pentanol 2.85
    propionitrile 5.03
    vinylene carbonate 16.9
    1,1,2-trichlorotrifluoroethane 37.97
    DMS 8.34
    cumene 1.49
    2-octanol 3.34
    2-hexanone 7.56
    octyl acetate 3.96
    limonene 1.9
    1,2-dimethoxyethane 33.58
    ethyl orthosilicate 3.15
    tributyl phosphate 4.03
    diacetone alcohol 14.87
    N,N-dimethylaniline 4.43
    acrylonitrile 9.9
    aniline 5.24
    1,3-propanediol 34.16
    bromobenzene 2.91
    dibromomethane 4.78
    1,1,2,2-tetrachloroethane 11.15
    2-methyl-cyclohexyl acetate 5.78
    tetrabutyl urea 7.08
    diisobutyl methanol 2.01
    2-phenylethanol 12.5
    styrene 1.66
    dioctyl adipate 4.79
    dimethyl sulfate 23.31
    ethyl butyrate 4.29
    methyl lactate 16.84
    butyl lactate 9.31
    diethyl carbonate 3.08
    propanediol butyl ether 14.92
    triethyl orthoformate 4.09
    p-tert-butyltoluene 1.59
    methyl 4-tert-butylbenzoate 11.48
    morpholine 31.46
    tert-butylamine 2.37
    n-dodecanol 1.61
    dimethoxymethane 52.68
    ethylene carbonate 14.09
    cyrene 26.89
    2-ethoxyethyl acetate 11.54
    2-ethylhexyl acetate 4.76
    1,2,4-trichlorobenzene 5.72
    4-methylpyridine 11.37
    dibutyl ether 1.64
    2,6-dimethyl-4-heptanol 2.01
    DEF 14.33
    dimethyl isosorbide 21.78
    tetrachloroethylene 10.86
    eugenol 14.91
    triacetin 8.44
    span 80 11.21
    1,4-butanediol 15.55
    1,1-dichloroethane 3.54
    2-methyl-1-pentanol 4.91
    methyl formate 35.97
    2-methyl-1-butanol 4.7
    n-decane 0.2
    butyronitrile 5.18
    3,7-dimethyl-1-octanol 2.71
    1-chlorooctane 1.06
    1-chlorotetradecane 0.43
    n-nonane 0.16
    undecane 0.14
    tert-butylcyclohexane 0.18
    cyclooctane 0.16
    cyclopentanol 11.48
    tetrahydropyran 10.48
    tert-amyl methyl ether 1.76
    2,5,8-trioxanonane 19.54
    1-hexene 0.66
    2-isopropoxyethanol 14.15
    2,2,2-trifluoroethanol 17.08
    methyl butyrate 6.6

    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