2,5-Methano-2H-s-indaceno[8,1-bc]furan-2,5a,7,8c(2aH,6H)-tetrol, octahydro-2a,5,8-trimethyl-3-(1-methylethyl)-, (2S,2aS,3S,4aS,5R,5aR,7S,8S,8aS,8bR,8cS)-

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  • Identifiers

    CAS number
    84807-46-5

    Molecular formula
    C20H32O5

    SMILES
    CC1C(CC2(C1C3C4(C5C2(CC(C4(C(C5)C(C)C)C)(O3)O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.26%
    Woody 40.04%
    Spicy 35.8%
    Cooling 35.71%
    Mint 32.91%
    Camphoreous 28.67%
    Balsamic 26.5%
    Sweet 26.13%
    Earthy 25.12%
    Herbal 22.48%

     

    Flavor
    Bitter 56.58%
    Fatty 28.95%
    Odorless 24.06%
    Sweet-like 24.02%
    Cedarleaf 22.69%
    Minty 22.05%
    Patchouli 21.2%
    Mentholic 20.96%
    Pleasant 20.65%
    Beet 20.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.2 (neutral)

    Molecular weight
    352.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    199°C

    Flash point

    • 194.09 ˚C est.

  • Synonyms

    • 2,5-Methano-2H-s-indaceno[8,1-bc]furan-2,5a,7,8c(2aH,6H)-tetrol, octahydro-2a,5,8-trimethyl-3-(1-methylethyl)-, (2S,2aS,3S,4aS,5R,5aR,7S,8S,8aS,8bR,8cS)-
    • 84807-46-5
    • 2,5-Methano-2H-s-indaceno(8,1-bc)furan-2,5a,7,8c(2aH,6H)-tetrol, octahydro-2a,5,8-trimethyl-3-(1-methylethyl)-, (2S,2aS,3S,4aS,5R,5aR,7S,8S,8aS,8bR,8cS)-
    • RefChem:247721
    • Cinncassiol D4
    • DTXSID101100111
    • 84807-46-5

  • Applications

    2,5-Methano-2H-s-indaceno[8,1-bc]furan-2,5a,7,8c(2aH,6H)-tetrol, octahydro-2a,5,8-trimethyl-3-(1-methylethyl)-, (2S,2aS,3S,4aS,5R,5aR,7S,8S,8aS,8bR,8cS)- (CAS number: 84807-46-5) is a multi-hydroxyl, polycyclic building block that finds use primarily as an intermediate in organic synthesis, providing a rigid, chiral scaffold for constructing polycyclic target molecules in pharmaceutical and agrochemical development. Its four hydroxyl groups also lend it utility as a polyfunctional building block for polymer and coating chemistries, serving as a potential crosslinking agent or co-monomer in systems such as polyurethanes and epoxies. In addition, the compound is evaluated as a chiral scaffold for enantioselective synthesis and as a precursor to natural-product–type derivatives in medicinal chemistry research. Depending on formulation and regulatory constraints, it may be handled under typical chemical manufacturing controls with appropriate safety data.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.47
    methanol 109.32
    isopropanol 35.28
    water 2.94
    ethyl acetate 22.34
    n-propanol 32.58
    acetone 53.13
    n-butanol 31.23
    acetonitrile 17.96
    DMF 217.52
    toluene 8.86
    isobutanol 22.86
    1,4-dioxane 76.82
    methyl acetate 22.74
    THF 162.2
    2-butanone 33.96
    n-pentanol 18.73
    sec-butanol 13.54
    n-hexane 0.49
    ethylene glycol 30.53
    NMP 91.77
    cyclohexane 1.0
    DMSO 188.87
    n-butyl acetate 25.44
    n-octanol 12.26
    chloroform 48.91
    n-propyl acetate 18.46
    acetic acid 36.82
    dichloromethane 31.81
    cyclohexanone 63.32
    propylene glycol 21.3
    isopropyl acetate 21.5
    DMAc 97.82
    2-ethoxyethanol 54.25
    isopentanol 24.76
    n-heptane 0.55
    ethyl formate 25.55
    1,2-dichloroethane 23.83
    n-hexanol 26.18
    2-methoxyethanol 111.03
    isobutyl acetate 16.99
    tetrachloromethane 10.79
    n-pentyl acetate 26.63
    transcutol 37.32
    n-heptanol 21.89
    ethylbenzene 5.79
    MIBK 26.05
    2-propoxyethanol 93.17
    tert-butanol 31.2
    MTBE 9.42
    2-butoxyethanol 58.49
    propionic acid 22.03
    o-xylene 6.45
    formic acid 51.26
    diethyl ether 13.51
    m-xylene 8.98
    p-xylene 8.41
    chlorobenzene 14.77
    dimethyl carbonate 30.27
    n-octane 0.44
    formamide 67.73
    cyclopentanone 108.22
    2-pentanone 32.97
    anisole 16.07
    cyclopentyl methyl ether 29.81
    gamma-butyrolactone 89.65
    1-methoxy-2-propanol 98.49
    pyridine 41.91
    3-pentanone 20.88
    furfural 79.6
    n-dodecane 0.35
    diethylene glycol 94.24
    diisopropyl ether 4.54
    tert-amyl alcohol 13.08
    acetylacetone 48.98
    n-hexadecane 0.43
    acetophenone 24.7
    methyl propionate 25.91
    isopentyl acetate 24.57
    trichloroethylene 45.03
    n-nonanol 13.39
    cyclohexanol 19.42
    benzyl alcohol 23.84
    2-ethylhexanol 12.1
    isooctanol 17.44
    dipropyl ether 9.41
    1,2-dichlorobenzene 16.8
    ethyl lactate 23.41
    propylene carbonate 43.23
    n-methylformamide 85.63
    2-pentanol 14.01
    n-pentane 0.58
    1-propoxy-2-propanol 51.87
    1-methoxy-2-propyl acetate 46.65
    2-(2-methoxypropoxy) propanol 28.99
    mesitylene 6.11
    ε-caprolactone 45.76
    p-cymene 6.37
    epichlorohydrin 82.97
    1,1,1-trichloroethane 17.87
    2-aminoethanol 38.59
    morpholine-4-carbaldehyde 123.57
    sulfolane 130.59
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 33.15
    n-hexyl acetate 25.12
    isooctane 0.52
    2-(2-butoxyethoxy)ethanol 36.64
    sec-butyl acetate 12.86
    tert-butyl acetate 23.38
    decalin 0.86
    glycerin 55.28
    diglyme 70.43
    acrylic acid 27.29
    isopropyl myristate 10.25
    n-butyric acid 33.18
    acetyl acetate 22.94
    di(2-ethylhexyl) phthalate 16.67
    ethyl propionate 17.21
    nitromethane 80.42
    1,2-diethoxyethane 17.05
    benzonitrile 25.58
    trioctyl phosphate 15.62
    1-bromopropane 8.34
    gamma-valerolactone 141.99
    n-decanol 8.62
    triethyl phosphate 12.87
    4-methyl-2-pentanol 12.27
    propionitrile 19.17
    vinylene carbonate 48.43
    1,1,2-trichlorotrifluoroethane 74.08
    DMS 27.51
    cumene 4.89
    2-octanol 11.35
    2-hexanone 23.12
    octyl acetate 14.25
    limonene 6.44
    1,2-dimethoxyethane 77.84
    ethyl orthosilicate 11.36
    tributyl phosphate 13.4
    diacetone alcohol 36.41
    N,N-dimethylaniline 13.63
    acrylonitrile 31.06
    aniline 16.63
    1,3-propanediol 59.15
    bromobenzene 12.52
    dibromomethane 18.19
    1,1,2,2-tetrachloroethane 39.32
    2-methyl-cyclohexyl acetate 21.31
    tetrabutyl urea 20.28
    diisobutyl methanol 7.64
    2-phenylethanol 33.66
    styrene 5.54
    dioctyl adipate 16.07
    dimethyl sulfate 56.87
    ethyl butyrate 16.74
    methyl lactate 39.5
    butyl lactate 27.71
    diethyl carbonate 12.73
    propanediol butyl ether 34.4
    triethyl orthoformate 15.91
    p-tert-butyltoluene 6.09
    methyl 4-tert-butylbenzoate 31.34
    morpholine 72.01
    tert-butylamine 10.61
    n-dodecanol 5.36
    dimethoxymethane 122.4
    ethylene carbonate 41.64
    cyrene 51.93
    2-ethoxyethyl acetate 34.01
    2-ethylhexyl acetate 19.17
    1,2,4-trichlorobenzene 20.65
    4-methylpyridine 32.2
    dibutyl ether 5.78
    2,6-dimethyl-4-heptanol 7.64
    DEF 36.31
    dimethyl isosorbide 55.38
    tetrachloroethylene 32.58
    eugenol 38.0
    triacetin 27.02
    span 80 27.59
    1,4-butanediol 27.93
    1,1-dichloroethane 17.54
    2-methyl-1-pentanol 13.82
    methyl formate 70.2
    2-methyl-1-butanol 17.38
    n-decane 0.69
    butyronitrile 19.82
    3,7-dimethyl-1-octanol 10.24
    1-chlorooctane 4.16
    1-chlorotetradecane 1.45
    n-nonane 0.55
    undecane 0.47
    tert-butylcyclohexane 0.8
    cyclooctane 0.47
    cyclopentanol 32.4
    tetrahydropyran 33.51
    tert-amyl methyl ether 7.04
    2,5,8-trioxanonane 44.86
    1-hexene 2.23
    2-isopropoxyethanol 34.34
    2,2,2-trifluoroethanol 33.05
    methyl butyrate 22.99

    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