2,5-Methano-2H-s-indaceno(8,1-bc)furan-2,5a,8,8c(2aH,6H)-tetrol, octahydro-3-(2-hydroxy-1-methylethyl)-2a,5,8-trimethyl-

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  • Identifiers

    CAS number
    77751-33-8

    Molecular formula
    C20H32O6

    SMILES
    CC(CO)C1CC2C3(CC4(C1(C2(C(O4)C5C3(CCC5(C)O)O)O)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.17%
    Woody 40.12%
    Sweet 36.8%
    Cooling 31.85%
    Balsamic 29.08%
    Mint 28.99%
    Spicy 27.49%
    Camphoreous 26.28%
    Earthy 23.93%
    Clean 20.76%

     

    Flavor
    Bitter 57.7%
    Fatty 35.55%
    Sweet 30.67%
    Odorless 29.0%
    Sweet-like 26.07%
    Cedarleaf 21.5%
    Patchouli 21.18%
    Minty 20.89%
    Beet 20.65%
    Mentholic 20.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    7.71 (neutral)

    Molecular weight
    368.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    291°C

    Flash point

    • 221.96 ˚C est.

  • Synonyms

    • 2,5-Methano-2H-s-indaceno[8,1-bc]furan-2,5a,8,8c(2aH,6H)-tetrol, octahydro-3-(2-hydroxy-1-methylethyl)-2a,5,8-trimethyl-
    • 77751-33-8
    • 2,5-Methano-2H-s-indaceno(8,1-bc)furan-2,5a,8,8c(2aH,6H)-tetrol, octahydro-3-(2-hydroxy-1-methylethyl)-2a,5,8-trimethyl-
    • RefChem:247723
    • Cinncassiol D2
    • DTXSID801104938
    • 77751-33-8

  • Applications

    For the compound 2,5-Methano-2H-s-indaceno(8,1-bc)furan-2,5a,8,8c(2aH,6H)-tetrol, octahydro-3-(2-hydroxy-1-methylethyl)-2a,5,8-trimethyl- (CAS 77751-33-8), real-world applications typically include as a synthetic intermediate for fragrance and flavor chemistry, as a building block or intermediate for cosmetics and personal care, as a polyol-type intermediate for polymers and plastics, as a specialty additive or resin component for coatings and inks, and as a synthetic intermediate in pharmaceutical synthesis, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.53
    methanol 356.37
    isopropanol 29.15
    water 9.44
    ethyl acetate 25.03
    n-propanol 29.91
    acetone 98.73
    n-butanol 25.73
    acetonitrile 25.48
    DMF 520.29
    toluene 7.39
    isobutanol 16.02
    1,4-dioxane 114.98
    methyl acetate 23.71
    THF 290.97
    2-butanone 32.52
    n-pentanol 16.84
    sec-butanol 8.47
    n-hexane 0.46
    ethylene glycol 79.3
    NMP 175.61
    cyclohexane 0.89
    DMSO 506.02
    n-butyl acetate 18.01
    n-octanol 8.17
    chloroform 47.18
    n-propyl acetate 18.69
    acetic acid 75.44
    dichloromethane 39.68
    cyclohexanone 74.22
    propylene glycol 39.92
    isopropyl acetate 20.5
    DMAc 158.78
    2-ethoxyethanol 87.57
    isopentanol 17.55
    n-heptane 0.56
    ethyl formate 39.97
    1,2-dichloroethane 26.07
    n-hexanol 18.45
    2-methoxyethanol 255.42
    isobutyl acetate 13.96
    tetrachloromethane 7.94
    n-pentyl acetate 17.45
    transcutol 41.95
    n-heptanol 14.46
    ethylbenzene 4.77
    MIBK 23.84
    2-propoxyethanol 116.47
    tert-butanol 21.95
    MTBE 5.36
    2-butoxyethanol 53.68
    propionic acid 24.77
    o-xylene 5.02
    formic acid 195.67
    diethyl ether 13.51
    m-xylene 7.47
    p-xylene 6.9
    chlorobenzene 11.66
    dimethyl carbonate 51.61
    n-octane 0.4
    formamide 250.78
    cyclopentanone 169.22
    2-pentanone 36.79
    anisole 15.57
    cyclopentyl methyl ether 37.84
    gamma-butyrolactone 168.45
    1-methoxy-2-propanol 154.45
    pyridine 53.21
    3-pentanone 19.04
    furfural 136.83
    n-dodecane 0.27
    diethylene glycol 156.58
    diisopropyl ether 3.2
    tert-amyl alcohol 7.1
    acetylacetone 78.14
    n-hexadecane 0.32
    acetophenone 26.79
    methyl propionate 33.76
    isopentyl acetate 16.03
    trichloroethylene 58.58
    n-nonanol 8.44
    cyclohexanol 15.04
    benzyl alcohol 26.31
    2-ethylhexanol 7.61
    isooctanol 10.89
    dipropyl ether 9.04
    1,2-dichlorobenzene 12.3
    ethyl lactate 28.27
    propylene carbonate 60.16
    n-methylformamide 240.09
    2-pentanol 9.01
    n-pentane 0.47
    1-propoxy-2-propanol 51.55
    1-methoxy-2-propyl acetate 45.41
    2-(2-methoxypropoxy) propanol 26.11
    mesitylene 4.87
    ε-caprolactone 53.77
    p-cymene 4.0
    epichlorohydrin 137.71
    1,1,1-trichloroethane 13.93
    2-aminoethanol 81.48
    morpholine-4-carbaldehyde 233.59
    sulfolane 245.56
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 41.95
    n-hexyl acetate 16.68
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 34.31
    sec-butyl acetate 10.81
    tert-butyl acetate 21.18
    decalin 0.62
    glycerin 132.18
    diglyme 78.81
    acrylic acid 41.78
    isopropyl myristate 6.39
    n-butyric acid 37.26
    acetyl acetate 28.15
    di(2-ethylhexyl) phthalate 11.97
    ethyl propionate 16.76
    nitromethane 211.26
    1,2-diethoxyethane 15.72
    benzonitrile 23.96
    trioctyl phosphate 10.59
    1-bromopropane 6.64
    gamma-valerolactone 257.0
    n-decanol 5.3
    triethyl phosphate 10.61
    4-methyl-2-pentanol 7.66
    propionitrile 15.27
    vinylene carbonate 70.96
    1,1,2-trichlorotrifluoroethane 125.39
    DMS 22.97
    cumene 3.69
    2-octanol 6.89
    2-hexanone 20.77
    octyl acetate 9.42
    limonene 4.21
    1,2-dimethoxyethane 125.18
    ethyl orthosilicate 8.73
    tributyl phosphate 9.17
    diacetone alcohol 43.64
    N,N-dimethylaniline 13.45
    acrylonitrile 34.83
    aniline 15.85
    1,3-propanediol 94.59
    bromobenzene 9.98
    dibromomethane 19.02
    1,1,2,2-tetrachloroethane 41.6
    2-methyl-cyclohexyl acetate 15.15
    tetrabutyl urea 14.96
    diisobutyl methanol 4.95
    2-phenylethanol 27.96
    styrene 4.68
    dioctyl adipate 11.99
    dimethyl sulfate 104.72
    ethyl butyrate 14.22
    methyl lactate 65.85
    butyl lactate 22.72
    diethyl carbonate 10.29
    propanediol butyl ether 37.23
    triethyl orthoformate 12.89
    p-tert-butyltoluene 3.88
    methyl 4-tert-butylbenzoate 27.26
    morpholine 119.87
    tert-butylamine 5.44
    n-dodecanol 3.34
    dimethoxymethane 270.67
    ethylene carbonate 55.78
    cyrene 67.0
    2-ethoxyethyl acetate 28.58
    2-ethylhexyl acetate 11.83
    1,2,4-trichlorobenzene 15.35
    4-methylpyridine 36.85
    dibutyl ether 4.45
    2,6-dimethyl-4-heptanol 4.95
    DEF 48.06
    dimethyl isosorbide 59.37
    tetrachloroethylene 34.79
    eugenol 33.73
    triacetin 24.0
    span 80 24.15
    1,4-butanediol 38.32
    1,1-dichloroethane 14.51
    2-methyl-1-pentanol 9.41
    methyl formate 213.48
    2-methyl-1-butanol 10.79
    n-decane 0.55
    butyronitrile 17.32
    3,7-dimethyl-1-octanol 6.15
    1-chlorooctane 2.6
    1-chlorotetradecane 0.9
    n-nonane 0.46
    undecane 0.37
    tert-butylcyclohexane 0.48
    cyclooctane 0.48
    cyclopentanol 32.78
    tetrahydropyran 36.72
    tert-amyl methyl ether 4.67
    2,5,8-trioxanonane 49.09
    1-hexene 2.03
    2-isopropoxyethanol 41.26
    2,2,2-trifluoroethanol 61.94
    methyl butyrate 25.47

    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