7,15-Methano-2H-indeno[2a(2)a(2),1a(2)a(2):6,7;6a(2)a(2),5a(2)a(2):6a(2),7a(2)]dicyclohepta[1,2-b:1a(2),2a(2)-ba(2)]difuran-2,9,16(3H)-trione, 3a,4,5,6,7,7a,7c,10,10a,11,12,13,14,14a,15,15b-hexadecahydro-6,13,14-trihydroxy-3,6,7a,10,13,15-hexamethyl-, (3S,3aS,6S,7S,7aR,7cS,10S,10aS,13S,14S,14aS,15R,15bS)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    91997-90-9

    Molecular formula
    C30H38O8

    SMILES
    CC1C2CCC(C3=C(C2OC1=O)C4(C(C3O)C5(C6=C(C4C5=O)C(CCC7C6OC(=O)C7C)(C)O)C)C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.5%
    Woody 36.87%
    Sweet 36.36%
    Spicy 28.7%
    Mint 19.9%
    Balsamic 18.57%
    Nutty 18.35%
    Burnt 18.31%
    Tobacco 18.04%
    Camphoreous 17.96%

     

    Flavor
    Bitter 94.05%
    Sweet-like 21.17%
    Bland 20.91%
    Cedarleaf 20.8%
    Lovage 18.66%
    Ripe apricot 18.64%
    Red fruit 18.29%
    Parsley 18.16%
    Fenugreek 18.07%
    Nitrile 17.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    3.49 (weak acid)

    Molecular weight
    526.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    2051°C

    Flash point

    • 171.35 ˚C est.

  • Synonyms

    • DTXSID201379347
    • 7,15-Methano-2H-indeno[2a(2)a(2),1a(2)a(2):6,7;6a(2)a(2),5a(2)a(2):6a(2),7a(2)]dicyclohepta[1,2-b:1a(2),2a(2)-ba(2)]difuran-2,9,16(3H)-trione, 3a,4,5,6,7,7a,7c,10,10a,11,12,13,14,14a,15,15b-hexadecahydro-6,13,14-trihydroxy-3,6,7a,10,13,15-hexamethyl-, (3S,3aS,6S,7S,7aR,7cS,10S,10aS,13S,14S,14aS,15R,15bS)-
    • 91997-90-9
    • 91997-90-9

  • Applications

    7,15-Methano-2H-indeno[2a(2)a(2),1a(2)a(2):6,7;6a(2)a(2),5a(2)a(2):6a(2),7a(2)]dicyclohepta[1,2-b:1a(2),2a(2)-ba(2)]difuran-2,9,16(3H)-trione, 3a,4,5,6,7,7a,7c,10,10a,11,12,13,14,14a,15,15b-hexadecahydro-6,13,14-trihydroxy-3,6,7a,10,13,15-hexamethyl-, (3S,3aS,6S,7S,7aR,7cS,10S,10aS,13S,14S,14aS,15R,15bS)- CAS 91997-90-9 is a polycyclic, multi-hydroxy, trione compound that can function as a specialized intermediate in organic synthesis. Potential real-world applications include: as a pharmaceutical synthesis intermediate and chiral building block for complex natural-product–type molecules; as an advanced intermediate in agrochemical synthesis; as a fragrance-related intermediate or odorant scaffold explored in fragrance research; as a triol functionality enabling use as a polyol component in polyurethane coatings and other polymer formulations; and as a scaffold for research in specialty chemical synthesis or materials development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.13
    methanol 80.98
    isopropanol 26.28
    water 0.48
    ethyl acetate 23.38
    n-propanol 36.14
    acetone 86.93
    n-butanol 23.69
    acetonitrile 36.54
    DMF 243.14
    toluene 5.74
    isobutanol 19.48
    1,4-dioxane 81.07
    methyl acetate 34.38
    THF 151.65
    2-butanone 49.13
    n-pentanol 20.37
    sec-butanol 13.97
    n-hexane 0.27
    ethylene glycol 21.44
    NMP 154.67
    cyclohexane 0.4
    DMSO 289.8
    n-butyl acetate 21.44
    n-octanol 7.56
    chloroform 55.57
    n-propyl acetate 21.87
    acetic acid 115.04
    dichloromethane 43.87
    cyclohexanone 77.76
    propylene glycol 20.74
    isopropyl acetate 15.02
    DMAc 148.15
    2-ethoxyethanol 63.98
    isopentanol 14.05
    n-heptane 0.18
    ethyl formate 35.6
    1,2-dichloroethane 26.75
    n-hexanol 15.04
    2-methoxyethanol 121.69
    isobutyl acetate 14.36
    tetrachloromethane 6.97
    n-pentyl acetate 20.75
    transcutol 36.61
    n-heptanol 11.86
    ethylbenzene 3.21
    MIBK 17.18
    2-propoxyethanol 78.31
    tert-butanol 14.69
    MTBE 5.99
    2-butoxyethanol 44.13
    propionic acid 39.74
    o-xylene 2.97
    formic acid 72.08
    diethyl ether 11.17
    m-xylene 3.07
    p-xylene 4.98
    chlorobenzene 12.61
    dimethyl carbonate 33.01
    n-octane 0.15
    formamide 88.61
    cyclopentanone 128.62
    2-pentanone 32.38
    anisole 11.88
    cyclopentyl methyl ether 18.49
    gamma-butyrolactone 134.7
    1-methoxy-2-propanol 72.98
    pyridine 63.79
    3-pentanone 21.4
    furfural 98.97
    n-dodecane 0.14
    diethylene glycol 71.22
    diisopropyl ether 1.73
    tert-amyl alcohol 9.56
    acetylacetone 50.74
    n-hexadecane 0.16
    acetophenone 22.26
    methyl propionate 29.77
    isopentyl acetate 17.1
    trichloroethylene 61.28
    n-nonanol 8.14
    cyclohexanol 11.62
    benzyl alcohol 23.08
    2-ethylhexanol 5.93
    isooctanol 8.48
    dipropyl ether 5.57
    1,2-dichlorobenzene 11.56
    ethyl lactate 19.93
    propylene carbonate 51.88
    n-methylformamide 113.77
    2-pentanol 7.58
    n-pentane 0.24
    1-propoxy-2-propanol 35.15
    1-methoxy-2-propyl acetate 30.62
    2-(2-methoxypropoxy) propanol 24.4
    mesitylene 1.57
    ε-caprolactone 61.22
    p-cymene 2.17
    epichlorohydrin 116.78
    1,1,1-trichloroethane 18.34
    2-aminoethanol 36.76
    morpholine-4-carbaldehyde 182.33
    sulfolane 171.08
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 34.87
    n-hexyl acetate 19.69
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 31.91
    sec-butyl acetate 10.69
    tert-butyl acetate 12.38
    decalin 0.28
    glycerin 43.19
    diglyme 55.86
    acrylic acid 49.63
    isopropyl myristate 5.92
    n-butyric acid 46.1
    acetyl acetate 24.94
    di(2-ethylhexyl) phthalate 13.27
    ethyl propionate 15.83
    nitromethane 173.46
    1,2-diethoxyethane 14.3
    benzonitrile 24.62
    trioctyl phosphate 10.15
    1-bromopropane 8.99
    gamma-valerolactone 230.55
    n-decanol 4.87
    triethyl phosphate 8.45
    4-methyl-2-pentanol 4.68
    propionitrile 26.09
    vinylene carbonate 58.85
    1,1,2-trichlorotrifluoroethane 97.76
    DMS 21.51
    cumene 2.16
    2-octanol 5.81
    2-hexanone 27.56
    octyl acetate 10.31
    limonene 2.53
    1,2-dimethoxyethane 80.18
    ethyl orthosilicate 6.91
    tributyl phosphate 9.76
    diacetone alcohol 27.42
    N,N-dimethylaniline 8.14
    acrylonitrile 44.96
    aniline 14.7
    1,3-propanediol 55.26
    bromobenzene 9.99
    dibromomethane 23.75
    1,1,2,2-tetrachloroethane 41.91
    2-methyl-cyclohexyl acetate 15.1
    tetrabutyl urea 15.58
    diisobutyl methanol 2.59
    2-phenylethanol 23.2
    styrene 4.13
    dioctyl adipate 13.34
    dimethyl sulfate 59.72
    ethyl butyrate 12.76
    methyl lactate 37.68
    butyl lactate 22.63
    diethyl carbonate 10.09
    propanediol butyl ether 32.19
    triethyl orthoformate 9.83
    p-tert-butyltoluene 1.77
    methyl 4-tert-butylbenzoate 20.86
    morpholine 95.9
    tert-butylamine 4.19
    n-dodecanol 2.8
    dimethoxymethane 107.57
    ethylene carbonate 49.38
    cyrene 47.8
    2-ethoxyethyl acetate 32.64
    2-ethylhexyl acetate 12.94
    1,2,4-trichlorobenzene 17.03
    4-methylpyridine 39.83
    dibutyl ether 4.08
    2,6-dimethyl-4-heptanol 2.59
    DEF 40.61
    dimethyl isosorbide 41.24
    tetrachloroethylene 29.02
    eugenol 27.65
    triacetin 23.43
    span 80 23.74
    1,4-butanediol 27.22
    1,1-dichloroethane 20.44
    2-methyl-1-pentanol 11.86
    methyl formate 82.76
    2-methyl-1-butanol 12.52
    n-decane 0.28
    butyronitrile 22.09
    3,7-dimethyl-1-octanol 4.95
    1-chlorooctane 2.12
    1-chlorotetradecane 0.7
    n-nonane 0.21
    undecane 0.18
    tert-butylcyclohexane 0.21
    cyclooctane 0.11
    cyclopentanol 25.77
    tetrahydropyran 35.34
    tert-amyl methyl ether 4.48
    2,5,8-trioxanonane 36.55
    1-hexene 1.89
    2-isopropoxyethanol 31.91
    2,2,2-trifluoroethanol 47.45
    methyl butyrate 24.05

    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