(2S,2aR,3S,4aS,5S,5aS,8S,8aR,8bR,8cS)-Decahydro-3-[(1S)-2-hydroxy-1-methylethyl]-2a,5,8-trimethyl-2,5-methano-2H-s-indaceno[8,1-bc]furan-2,8,8c(2aH)-triol

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  • Identifiers

    CAS number
    77353-84-5

    Molecular formula
    C20H32O5

    SMILES
    CC(CO)C1CC2C3(CC4(C1(C2(C(O4)C5C3CCC5(C)O)O)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.6%
    Woody 41.7%
    Sweet 36.08%
    Cooling 34.69%
    Mint 33.47%
    Balsamic 32.13%
    Spicy 31.89%
    Camphoreous 28.24%
    Earthy 24.97%
    Herbal 24.17%

     

    Flavor
    Bitter 49.71%
    Fatty 37.79%
    Sweet 27.83%
    Minty 26.06%
    Odorless 25.49%
    Sweet-like 24.47%
    Earthy 24.03%
    Fruity 23.93%
    Herbal 22.48%
    Fruit 22.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.13 (neutral)

    Molecular weight
    352.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    193°C

    Flash point

    • 205.67 ˚C est.

  • Synonyms

    • (2S,2aR,3S,4aS,5S,5aS,8S,8aR,8bR,8cS)-Decahydro-3-[(1S)-2-hydroxy-1-methylethyl]-2a,5,8-trimethyl-2,5-methano-2H-s-indaceno[8,1-bc]furan-2,8,8c(2aH)-triol
    • 77353-84-5
    • (2S,2aR,3S,4aS,5S,5aS,8S,8aR,8bR,8cS)-Decahydro-3-((1S)-2-hydroxy-1-methylethyl)-2a,5,8-trimethyl-2,5-methano-2H-s-indaceno(8,1-bc)furan-2,8,8c(2aH)-triol
    • RefChem:207061
    • Cinncassiol D1
    • DTXSID001100001
    • 77353-84-5

  • Applications

    CAS 77353-84-5, the polycyclic triol (2S,2aR,3S,4aS,5S,5aS,8S,8aR,8bR,8cS)-Decahydro-3-[(1S)-2-hydroxy-1-methylethyl]-2a,5,8-trimethyl-2,5-methano-2H-s-indaceno[8,1-bc]furan-2,8,8c(2aH)-triol, is primarily used as a chemical intermediate and specialty polyol in synthesis. In industrial practice it is commonly evaluated as a chiral building block for pharmaceutical and fine-chemical routes; it can serve as a reactive polyol crosslinker or precursor for polymer formulations, including polyurethanes and epoxy resins used in coatings and adhesives. The compound may also be explored as a component in fragrance chemistry as a potential odorant precursor, and in research and development as a synthetic building block for process development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.48
    methanol 282.68
    isopropanol 50.02
    water 7.61
    ethyl acetate 25.49
    n-propanol 40.05
    acetone 97.84
    n-butanol 41.55
    acetonitrile 25.58
    DMF 427.89
    toluene 10.77
    isobutanol 25.06
    1,4-dioxane 115.38
    methyl acetate 24.7
    THF 280.35
    2-butanone 38.98
    n-pentanol 23.46
    sec-butanol 13.41
    n-hexane 0.52
    ethylene glycol 68.79
    NMP 142.12
    cyclohexane 1.02
    DMSO 346.31
    n-butyl acetate 22.46
    n-octanol 11.87
    chloroform 57.5
    n-propyl acetate 20.72
    acetic acid 61.87
    dichloromethane 40.73
    cyclohexanone 83.05
    propylene glycol 45.95
    isopropyl acetate 24.77
    DMAc 141.06
    2-ethoxyethanol 81.6
    isopentanol 30.64
    n-heptane 0.71
    ethyl formate 36.5
    1,2-dichloroethane 26.93
    n-hexanol 25.89
    2-methoxyethanol 223.23
    isobutyl acetate 18.11
    tetrachloromethane 10.23
    n-pentyl acetate 23.72
    transcutol 51.67
    n-heptanol 20.46
    ethylbenzene 6.42
    MIBK 31.11
    2-propoxyethanol 125.96
    tert-butanol 37.9
    MTBE 8.43
    2-butoxyethanol 64.28
    propionic acid 27.78
    o-xylene 7.25
    formic acid 119.42
    diethyl ether 15.31
    m-xylene 11.34
    p-xylene 9.36
    chlorobenzene 16.45
    dimethyl carbonate 44.03
    n-octane 0.5
    formamide 156.16
    cyclopentanone 165.15
    2-pentanone 44.79
    anisole 19.68
    cyclopentyl methyl ether 42.59
    gamma-butyrolactone 146.52
    1-methoxy-2-propanol 176.39
    pyridine 54.62
    3-pentanone 23.24
    furfural 122.94
    n-dodecane 0.38
    diethylene glycol 151.95
    diisopropyl ether 4.47
    tert-amyl alcohol 11.24
    acetylacetone 78.77
    n-hexadecane 0.45
    acetophenone 31.32
    methyl propionate 33.41
    isopentyl acetate 21.21
    trichloroethylene 60.99
    n-nonanol 12.4
    cyclohexanol 22.64
    benzyl alcohol 33.44
    2-ethylhexanol 11.3
    isooctanol 16.43
    dipropyl ether 10.48
    1,2-dichlorobenzene 17.54
    ethyl lactate 31.53
    propylene carbonate 60.12
    n-methylformamide 168.91
    2-pentanol 16.15
    n-pentane 0.61
    1-propoxy-2-propanol 63.62
    1-methoxy-2-propyl acetate 51.54
    2-(2-methoxypropoxy) propanol 32.96
    mesitylene 7.2
    ε-caprolactone 57.95
    p-cymene 6.04
    epichlorohydrin 125.81
    1,1,1-trichloroethane 18.08
    2-aminoethanol 74.31
    morpholine-4-carbaldehyde 193.66
    sulfolane 205.15
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 45.15
    n-hexyl acetate 22.79
    isooctane 0.48
    2-(2-butoxyethoxy)ethanol 42.28
    sec-butyl acetate 13.98
    tert-butyl acetate 26.48
    decalin 0.85
    glycerin 130.63
    diglyme 87.78
    acrylic acid 42.3
    isopropyl myristate 9.05
    n-butyric acid 45.25
    acetyl acetate 29.53
    di(2-ethylhexyl) phthalate 16.77
    ethyl propionate 19.36
    nitromethane 156.86
    1,2-diethoxyethane 18.72
    benzonitrile 30.79
    trioctyl phosphate 14.54
    1-bromopropane 8.27
    gamma-valerolactone 226.57
    n-decanol 7.95
    triethyl phosphate 12.69
    4-methyl-2-pentanol 12.79
    propionitrile 19.29
    vinylene carbonate 68.89
    1,1,2-trichlorotrifluoroethane 112.29
    DMS 26.62
    cumene 5.32
    2-octanol 10.44
    2-hexanone 25.13
    octyl acetate 12.73
    limonene 6.04
    1,2-dimethoxyethane 114.81
    ethyl orthosilicate 11.01
    tributyl phosphate 12.4
    diacetone alcohol 49.57
    N,N-dimethylaniline 16.56
    acrylonitrile 38.15
    aniline 22.27
    1,3-propanediol 109.67
    bromobenzene 14.09
    dibromomethane 20.32
    1,1,2,2-tetrachloroethane 47.19
    2-methyl-cyclohexyl acetate 19.91
    tetrabutyl urea 19.25
    diisobutyl methanol 7.6
    2-phenylethanol 36.83
    styrene 6.41
    dioctyl adipate 16.15
    dimethyl sulfate 84.12
    ethyl butyrate 17.2
    methyl lactate 64.0
    butyl lactate 30.08
    diethyl carbonate 12.09
    propanediol butyl ether 46.35
    triethyl orthoformate 15.7
    p-tert-butyltoluene 5.85
    methyl 4-tert-butylbenzoate 35.02
    morpholine 113.68
    tert-butylamine 9.51
    n-dodecanol 5.03
    dimethoxymethane 229.14
    ethylene carbonate 55.24
    cyrene 69.85
    2-ethoxyethyl acetate 34.86
    2-ethylhexyl acetate 15.74
    1,2,4-trichlorobenzene 21.38
    4-methylpyridine 42.7
    dibutyl ether 5.93
    2,6-dimethyl-4-heptanol 7.6
    DEF 46.97
    dimethyl isosorbide 65.31
    tetrachloroethylene 36.81
    eugenol 43.2
    triacetin 30.03
    span 80 30.82
    1,4-butanediol 43.24
    1,1-dichloroethane 18.34
    2-methyl-1-pentanol 14.4
    methyl formate 145.45
    2-methyl-1-butanol 17.68
    n-decane 0.75
    butyronitrile 22.34
    3,7-dimethyl-1-octanol 9.7
    1-chlorooctane 3.65
    1-chlorotetradecane 1.32
    n-nonane 0.62
    undecane 0.5
    tert-butylcyclohexane 0.71
    cyclooctane 0.58
    cyclopentanol 43.75
    tetrahydropyran 44.35
    tert-amyl methyl ether 6.34
    2,5,8-trioxanonane 54.79
    1-hexene 2.42
    2-isopropoxyethanol 46.06
    2,2,2-trifluoroethanol 51.74
    methyl butyrate 27.64

    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