Spiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one, dodecahydro-7a(2)-hydroxy-2a(2)-[(2S,3S)-3-[(2R)-2-hydroxy-4-methyl-3-pentenyl]-3-methyloxiranyl]-4a(2)b,8a(2),8a(2),10a(2)a-tetramethyl-, (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-

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  • Identifiers

    CAS number
    85206-97-9

    Molecular formula
    C30H48O5

    SMILES
    CC(=CC(CC1(C(O1)C2CCC3C4(CCC(C(C4CCC3(C25CC(=O)OC5)C)(C)C)O)C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.04%
    Amber 45.51%
    Sweet 39.11%
    Balsamic 38.47%
    Cedar 36.59%
    Dry 36.47%
    Sandalwood 35.19%
    Musk 33.18%
    Herbal 30.22%
    Mint 28.85%

     

    Flavor
    Woody 42.15%
    Bitter 41.54%
    Herbal 36.7%
    Pine 32.59%
    Minty 31.38%
    Camphor 28.09%
    Balsam 28.03%
    Fresh 27.16%
    Earthy 26.67%
    Spicy 26.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    6.06 (neutral)

    Molecular weight
    488.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    117°C

    Flash point

    • 207.56 ˚C est.

  • Synonyms

    • DTXSID401098319
    • 85206-97-9
    • Spiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one, dodecahydro-7a(2)-hydroxy-2a(2)-[(2S,3S)-3-[(2R)-2-hydroxy-4-methyl-3-pentenyl]-3-methyloxiranyl]-4a(2)b,8a(2),8a(2),10a(2)a-tetramethyl-, (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-
    • 85206-97-9

  • Applications

    CAS number: 85206-97-9; the exact chemical name is Spiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one, dodecahydro-7a(2)-hydroxy-2a(2)-[(2S,3S)-3-[(2R)-2-hydroxy-4-methyl-3-pentenyl]-3-methyloxiranyl]-4a(2)b,8a(2),8a(2),10a(2)a-tetramethyl-, (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-; It is primarily used as a chiral building block and advanced intermediate in organic synthesis, enabling the construction of complex, natural-product-like molecules in pharmaceutical and agrochemical development; the glycidyl/epoxide functionality supports further derivatization toward target compounds and can feed into epoxy-containing monomer synthesis for specialty polymers and coatings; researchers also explore its potential role as a scaffold in fragrance chemistry, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.11
    methanol 4.94
    isopropanol 1.87
    water 0.01
    ethyl acetate 5.99
    n-propanol 5.05
    acetone 7.2
    n-butanol 3.45
    acetonitrile 4.71
    DMF 24.01
    toluene 3.78
    isobutanol 2.45
    1,4-dioxane 12.38
    methyl acetate 5.61
    THF 27.69
    2-butanone 8.28
    n-pentanol 3.45
    sec-butanol 1.49
    n-hexane 0.1
    ethylene glycol 1.04
    NMP 34.81
    cyclohexane 0.12
    DMSO 12.91
    n-butyl acetate 4.63
    n-octanol 1.62
    chloroform 24.97
    n-propyl acetate 4.53
    acetic acid 12.21
    dichloromethane 15.39
    cyclohexanone 12.83
    propylene glycol 2.02
    isopropyl acetate 4.71
    DMAc 29.98
    2-ethoxyethanol 12.19
    isopentanol 2.35
    n-heptane 0.1
    ethyl formate 3.92
    1,2-dichloroethane 6.59
    n-hexanol 3.55
    2-methoxyethanol 14.24
    isobutyl acetate 3.94
    tetrachloromethane 2.02
    n-pentyl acetate 5.46
    transcutol 20.24
    n-heptanol 2.87
    ethylbenzene 1.66
    MIBK 4.85
    2-propoxyethanol 23.03
    tert-butanol 1.38
    MTBE 1.78
    2-butoxyethanol 14.1
    propionic acid 6.14
    o-xylene 1.79
    formic acid 5.38
    diethyl ether 3.2
    m-xylene 2.23
    p-xylene 1.91
    chlorobenzene 5.69
    dimethyl carbonate 6.29
    n-octane 0.03
    formamide 7.37
    cyclopentanone 20.34
    2-pentanone 6.83
    anisole 6.41
    cyclopentyl methyl ether 7.05
    gamma-butyrolactone 21.51
    1-methoxy-2-propanol 14.48
    pyridine 18.2
    3-pentanone 5.5
    furfural 20.36
    n-dodecane 0.02
    diethylene glycol 12.43
    diisopropyl ether 0.74
    tert-amyl alcohol 1.29
    acetylacetone 10.15
    n-hexadecane 0.03
    acetophenone 8.04
    methyl propionate 7.67
    isopentyl acetate 4.87
    trichloroethylene 22.32
    n-nonanol 1.97
    cyclohexanol 1.9
    benzyl alcohol 6.91
    2-ethylhexanol 2.0
    isooctanol 2.29
    dipropyl ether 2.53
    1,2-dichlorobenzene 5.33
    ethyl lactate 4.82
    propylene carbonate 9.2
    n-methylformamide 10.5
    2-pentanol 1.33
    n-pentane 0.08
    1-propoxy-2-propanol 11.79
    1-methoxy-2-propyl acetate 12.01
    2-(2-methoxypropoxy) propanol 9.65
    mesitylene 0.97
    ε-caprolactone 13.68
    p-cymene 1.12
    epichlorohydrin 24.96
    1,1,1-trichloroethane 5.25
    2-aminoethanol 4.15
    morpholine-4-carbaldehyde 30.23
    sulfolane 24.8
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 8.57
    n-hexyl acetate 6.1
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 12.65
    sec-butyl acetate 3.24
    tert-butyl acetate 5.04
    decalin 0.14
    glycerin 4.68
    diglyme 23.02
    acrylic acid 7.49
    isopropyl myristate 1.5
    n-butyric acid 8.28
    acetyl acetate 6.08
    di(2-ethylhexyl) phthalate 3.78
    ethyl propionate 4.55
    nitromethane 19.94
    1,2-diethoxyethane 4.24
    benzonitrile 6.15
    trioctyl phosphate 2.12
    1-bromopropane 2.57
    gamma-valerolactone 37.61
    n-decanol 0.99
    triethyl phosphate 2.97
    4-methyl-2-pentanol 1.22
    propionitrile 4.32
    vinylene carbonate 11.72
    1,1,2-trichlorotrifluoroethane 23.65
    DMS 5.64
    cumene 1.11
    2-octanol 1.04
    2-hexanone 5.27
    octyl acetate 2.5
    limonene 1.3
    1,2-dimethoxyethane 13.4
    ethyl orthosilicate 2.9
    tributyl phosphate 1.96
    diacetone alcohol 7.57
    N,N-dimethylaniline 4.02
    acrylonitrile 7.09
    aniline 5.8
    1,3-propanediol 5.71
    bromobenzene 5.49
    dibromomethane 8.07
    1,1,2,2-tetrachloroethane 13.68
    2-methyl-cyclohexyl acetate 5.15
    tetrabutyl urea 3.12
    diisobutyl methanol 0.91
    2-phenylethanol 8.27
    styrene 1.99
    dioctyl adipate 3.77
    dimethyl sulfate 11.03
    ethyl butyrate 4.1
    methyl lactate 7.94
    butyl lactate 6.58
    diethyl carbonate 2.93
    propanediol butyl ether 8.83
    triethyl orthoformate 4.1
    p-tert-butyltoluene 1.0
    methyl 4-tert-butylbenzoate 9.34
    morpholine 17.97
    tert-butylamine 0.61
    n-dodecanol 0.51
    dimethoxymethane 17.5
    ethylene carbonate 8.38
    cyrene 15.06
    2-ethoxyethyl acetate 10.38
    2-ethylhexyl acetate 3.91
    1,2,4-trichlorobenzene 8.37
    4-methylpyridine 12.11
    dibutyl ether 0.98
    2,6-dimethyl-4-heptanol 0.91
    DEF 8.44
    dimethyl isosorbide 17.82
    tetrachloroethylene 9.39
    eugenol 10.95
    triacetin 8.98
    span 80 8.01
    1,4-butanediol 2.75
    1,1-dichloroethane 4.92
    2-methyl-1-pentanol 2.5
    methyl formate 6.3
    2-methyl-1-butanol 2.27
    n-decane 0.06
    butyronitrile 3.94
    3,7-dimethyl-1-octanol 1.48
    1-chlorooctane 0.53
    1-chlorotetradecane 0.13
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.11
    cyclooctane 0.06
    cyclopentanol 3.21
    tetrahydropyran 6.79
    tert-amyl methyl ether 1.73
    2,5,8-trioxanonane 14.1
    1-hexene 0.55
    2-isopropoxyethanol 7.9
    2,2,2-trifluoroethanol 5.09
    methyl butyrate 5.2

    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