Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-

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  • Identifiers

    CAS number
    35945-70-1

    Molecular formula
    C17H24O4

    SMILES
    CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.6%
    Herbal 36.28%
    Mint 34.92%
    Spicy 33.67%
    Green 31.55%
    Cedar 29.66%
    Fresh 28.69%
    Odorless 28.53%
    Tobacco 24.82%
    Camphoreous 24.62%

     

    Flavor
    Bitter 68.32%
    Minty 28.12%
    Ripe apricot 22.19%
    Cedarleaf 21.94%
    Red fruit 21.9%
    Parsley 20.71%
    Lovage 20.52%
    Leaves 20.3%
    Herbal 20.28%
    Cuminseed 20.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.94 (neutral)

    Molecular weight
    292.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    372°C

    Melting point expt.

    • 96 - 97 °C

    Flash point

    • 152.05 ˚C est.

  • Synonyms

    • 35945-70-1
    • (3a,4-dimethyl-4'-methylidene-2'-oxospiro(3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane)-1-yl) acetate
    • (3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl) acetate
    • Spiro(furan-3(2H),2'-(2H)inden)-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-
    • Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-
    • RefChem:381086
    • 9-Acetoxyfukinanolide
    • DTXSID601105992
    • Spiro[furan-3(2H),2a(2)-[2H]inden]-2-one, 1a(2)-(acetyloxy)decahydro-3a(2)a,4a(2)-dimethyl-4-methylene-, (1a(2)R,2a(2)R,3a(2)aR,4a(2)S,7a(2)aS)-
    • 35945-70-1

  • Applications

    The compound Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)- (CAS 35945-70-1) is primarily encountered as a synthetic intermediate in pharmaceutical and agrochemical R&D, serving as a chiral building block to access complex bioactive scaffolds. It may also function as an acetyl-protected ketone derivative that enables selective transformations in stepwise organic synthesis. In materials science and related fields, the compound can be used as a rigid spirocyclic scaffold for library generation and exploration of structure–property relationships in polymers or liquid-crystal materials. Additionally, it is commonly evaluated as a precursor or starting point for asymmetric synthesis methodologies, where its stereochemical fixed framework supports enantioselective routes. Its use should be considered in the context of local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 134.22
    methanol 280.39
    isopropanol 363.71
    water 0.97
    ethyl acetate 225.23
    n-propanol 232.02
    acetone 494.37
    n-butanol 277.86
    acetonitrile 195.0
    DMF 1045.64
    toluene 388.95
    isobutanol 258.73
    1,4-dioxane 652.77
    methyl acetate 299.9
    THF 1220.81
    2-butanone 461.55
    n-pentanol 134.57
    sec-butanol 255.72
    n-hexane 1.6
    ethylene glycol 56.91
    NMP 608.05
    cyclohexane 11.58
    DMSO 438.74
    n-butyl acetate 131.7
    n-octanol 43.98
    chloroform 1503.42
    n-propyl acetate 133.9
    acetic acid 190.09
    dichloromethane 936.48
    cyclohexanone 725.61
    propylene glycol 129.3
    isopropyl acetate 202.06
    DMAc 613.43
    2-ethoxyethanol 172.11
    isopentanol 281.41
    n-heptane 1.54
    ethyl formate 203.05
    1,2-dichloroethane 454.07
    n-hexanol 126.89
    2-methoxyethanol 435.94
    isobutyl acetate 110.71
    tetrachloromethane 95.8
    n-pentyl acetate 100.45
    transcutol 316.28
    n-heptanol 59.25
    ethylbenzene 111.74
    MIBK 227.42
    2-propoxyethanol 285.88
    tert-butanol 383.02
    MTBE 116.27
    2-butoxyethanol 150.43
    propionic acid 190.77
    o-xylene 163.76
    formic acid 97.85
    diethyl ether 92.55
    m-xylene 202.2
    p-xylene 186.11
    chlorobenzene 400.16
    dimethyl carbonate 193.07
    n-octane 1.16
    formamide 204.53
    cyclopentanone 1036.99
    2-pentanone 331.57
    anisole 223.29
    cyclopentyl methyl ether 289.01
    gamma-butyrolactone 873.51
    1-methoxy-2-propanol 469.06
    pyridine 702.17
    3-pentanone 208.19
    furfural 723.24
    n-dodecane 1.69
    diethylene glycol 244.12
    diisopropyl ether 32.2
    tert-amyl alcohol 212.21
    acetylacetone 421.71
    n-hexadecane 2.12
    acetophenone 239.42
    methyl propionate 226.77
    isopentyl acetate 145.16
    trichloroethylene 1203.6
    n-nonanol 44.43
    cyclohexanol 333.46
    benzyl alcohol 285.82
    2-ethylhexanol 57.33
    isooctanol 54.07
    dipropyl ether 37.4
    1,2-dichlorobenzene 316.34
    ethyl lactate 107.68
    propylene carbonate 440.37
    n-methylformamide 365.13
    2-pentanol 180.21
    n-pentane 3.25
    1-propoxy-2-propanol 180.97
    1-methoxy-2-propyl acetate 199.32
    2-(2-methoxypropoxy) propanol 145.8
    mesitylene 94.68
    ε-caprolactone 436.76
    p-cymene 45.23
    epichlorohydrin 950.48
    1,1,1-trichloroethane 419.56
    2-aminoethanol 119.81
    morpholine-4-carbaldehyde 664.25
    sulfolane 720.13
    2,2,4-trimethylpentane 3.21
    2-methyltetrahydrofuran 497.78
    n-hexyl acetate 126.02
    isooctane 3.29
    2-(2-butoxyethoxy)ethanol 170.1
    sec-butyl acetate 109.57
    tert-butyl acetate 184.95
    decalin 7.23
    glycerin 191.15
    diglyme 318.11
    acrylic acid 188.31
    isopropyl myristate 54.89
    n-butyric acid 300.88
    acetyl acetate 207.36
    di(2-ethylhexyl) phthalate 82.68
    ethyl propionate 120.03
    nitromethane 438.93
    1,2-diethoxyethane 101.23
    benzonitrile 351.14
    trioctyl phosphate 52.48
    1-bromopropane 180.34
    gamma-valerolactone 1074.66
    n-decanol 33.36
    triethyl phosphate 60.46
    4-methyl-2-pentanol 123.79
    propionitrile 237.33
    vinylene carbonate 427.72
    1,1,2-trichlorotrifluoroethane 495.03
    DMS 167.28
    cumene 63.34
    2-octanol 43.04
    2-hexanone 180.2
    octyl acetate 67.62
    limonene 47.68
    1,2-dimethoxyethane 360.82
    ethyl orthosilicate 53.97
    tributyl phosphate 60.79
    diacetone alcohol 278.71
    N,N-dimethylaniline 139.21
    acrylonitrile 344.82
    aniline 437.07
    1,3-propanediol 268.65
    bromobenzene 427.09
    dibromomethane 485.63
    1,1,2,2-tetrachloroethane 938.59
    2-methyl-cyclohexyl acetate 109.06
    tetrabutyl urea 79.91
    diisobutyl methanol 43.51
    2-phenylethanol 223.08
    styrene 137.41
    dioctyl adipate 87.02
    dimethyl sulfate 286.58
    ethyl butyrate 92.99
    methyl lactate 218.21
    butyl lactate 107.18
    diethyl carbonate 76.86
    propanediol butyl ether 130.88
    triethyl orthoformate 70.02
    p-tert-butyltoluene 44.78
    methyl 4-tert-butylbenzoate 162.28
    morpholine 666.55
    tert-butylamine 133.44
    n-dodecanol 24.55
    dimethoxymethane 453.61
    ethylene carbonate 350.62
    cyrene 237.07
    2-ethoxyethyl acetate 156.82
    2-ethylhexyl acetate 102.55
    1,2,4-trichlorobenzene 375.88
    4-methylpyridine 768.63
    dibutyl ether 33.59
    2,6-dimethyl-4-heptanol 43.51
    DEF 260.05
    dimethyl isosorbide 296.79
    tetrachloroethylene 456.48
    eugenol 184.3
    triacetin 152.0
    span 80 128.01
    1,4-butanediol 93.04
    1,1-dichloroethane 586.53
    2-methyl-1-pentanol 129.83
    methyl formate 341.41
    2-methyl-1-butanol 215.6
    n-decane 2.52
    butyronitrile 240.04
    3,7-dimethyl-1-octanol 59.51
    1-chlorooctane 21.08
    1-chlorotetradecane 9.35
    n-nonane 1.77
    undecane 2.02
    tert-butylcyclohexane 5.22
    cyclooctane 3.05
    cyclopentanol 430.32
    tetrahydropyran 485.7
    tert-amyl methyl ether 79.77
    2,5,8-trioxanonane 226.26
    1-hexene 15.87
    2-isopropoxyethanol 139.63
    2,2,2-trifluoroethanol 128.61
    methyl butyrate 176.26

    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