Spiro(naphthalene-2(3H),2'(3'H)-naphtho(1,2-b)furan)-3,3',4'(3'aH)-trione, 1,5,6,6',7,7',8,8',8a,9',9'a,9'b-dodecahydro-6,7'-bis(1-hydroxy-1-methylethyl)-4,5',8a,9'a-tetramethyl-

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  • Identifiers

    CAS number
    38045-62-4

    Molecular formula
    C31H44O6

    SMILES
    CC1=C2CC(CCC2(C3C(C1=O)C(=O)C4(O3)CC5(CCC(CC5=C(C4=O)C)C(C)(C)O)C)C)C(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.95%
    Amber 36.58%
    Dry 35.85%
    Cedar 34.52%
    Sweet 34.29%
    Musk 31.31%
    Camphoreous 29.56%
    Powdery 28.95%
    Tobacco 28.76%
    Mint 28.58%

     

    Flavor
    Bitter 70.87%
    Minty 28.66%
    Cedarleaf 21.81%
    Ripe apricot 20.93%
    Red fruit 20.8%
    Basil 20.0%
    Lovage 19.9%
    Leaves 19.78%
    Heather 19.64%
    Parsley 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.44 (neutral)

    Molecular weight
    512.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    217°C

    Melting point expt.

    • 262 °C

    Flash point

    • 205.19 ˚C est.

  • Synonyms

    • 38045-62-4
    • Spiro(naphthalene-2(3H),2'(3'H)-naphtho(1,2-b)furan)-3,3',4'(3'aH)-trione, 1,5,6,6',7,7',8,8',8a,9',9'a,9'b-dodecahydro-6,7'-bis(1-hydroxy-1-methylethyl)-4,5',8a,9'a-tetramethyl-
    • Spiro[naphthalene-2(3H),2'(3'H)-naphtho[1,2-b]furan]-3,3',4'(3'aH)-trione, 1,5,6,6',7,7',8,8',8a,9',9'a,9'b-dodecahydro-6,7'-bis(1-hydroxy-1-methylethyl)-4,5',8a,9'a-tetramethyl-
    • RefChem:381193
    • Carindone
    • CHEBI:168592
    • DTXSID401098864
    • 7,7'-bis(2-hydroxypropan-2-yl)-1',4'a,5,9a-tetramethylspiro[3a,6,7,8,9,9b-hexahydrobenzo[g][1]benzouran-2,3'-5,6,7,8-tetrahydro-4H-naphthalene]-2',3,4-trione
    • Spiro[naphthalene-2(3H),2a(2)(3a(2)H)-naphtho[1,2-b]furan]-3,3a(2),4a(2)(3a(2)aH)-trione, 1,5,6,6a(2),7,7a(2),8,8a(2),8a,9a(2),9a(2)a,9a(2)b-dodecahydro-6,7a(2)-bis(1-hydroxy-1-methylethyl)-4,5a(2),8a,9a(2)a-tetramethyl-
    • 38045-62-4

  • Applications

    Spiro(naphthalene-2(3H),2'(3'H)-naphtho(1,2-b)furan)-3,3',4'(3'aH)-trione, 1,5,6,6',7,7',8,8',8a,9',9'a,9'b-dodecahydro-6,7'-bis(1-hydroxy-1-methylethyl)-4,5',8a,9'a-tetramethyl- (CAS 38045-62-4) is primarily used as a specialized organic intermediate and building block in complex synthesis. In pharmaceutical and agrochemical development, it is evaluated as a chiral scaffold for further functionalization. In polymer and coatings industries, it can serve as a precursor for advanced materials, including crosslinking agents or resin modifiers. In specialty chemicals and research settings, it is used to prepare more complex colorants, ligands for catalysis, and other functionalized frameworks for materials discovery. Its use is typically restricted to research and production scales and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.87
    methanol 26.17
    isopropanol 23.58
    water 0.02
    ethyl acetate 40.98
    n-propanol 46.45
    acetone 53.23
    n-butanol 32.88
    acetonitrile 19.73
    DMF 216.99
    toluene 29.48
    isobutanol 24.99
    1,4-dioxane 111.03
    methyl acetate 42.99
    THF 290.94
    2-butanone 66.12
    n-pentanol 29.18
    sec-butanol 20.16
    n-hexane 0.81
    ethylene glycol 5.17
    NMP 261.36
    cyclohexane 1.22
    DMSO 130.35
    n-butyl acetate 29.59
    n-octanol 9.16
    chloroform 160.11
    n-propyl acetate 32.66
    acetic acid 71.05
    dichloromethane 101.69
    cyclohexanone 116.43
    propylene glycol 12.93
    isopropyl acetate 28.43
    DMAc 199.81
    2-ethoxyethanol 72.51
    isopentanol 19.2
    n-heptane 0.52
    ethyl formate 33.24
    1,2-dichloroethane 50.2
    n-hexanol 23.3
    2-methoxyethanol 99.67
    isobutyl acetate 22.93
    tetrachloromethane 14.51
    n-pentyl acetate 28.25
    transcutol 77.63
    n-heptanol 14.67
    ethylbenzene 12.99
    MIBK 28.51
    2-propoxyethanol 101.51
    tert-butanol 14.9
    MTBE 13.42
    2-butoxyethanol 53.52
    propionic acid 43.04
    o-xylene 13.37
    formic acid 22.79
    diethyl ether 23.71
    m-xylene 14.79
    p-xylene 15.86
    chlorobenzene 40.0
    dimethyl carbonate 42.16
    n-octane 0.22
    formamide 34.47
    cyclopentanone 182.6
    2-pentanone 54.65
    anisole 35.49
    cyclopentyl methyl ether 64.31
    gamma-butyrolactone 188.33
    1-methoxy-2-propanol 92.96
    pyridine 113.84
    3-pentanone 39.84
    furfural 129.56
    n-dodecane 0.18
    diethylene glycol 49.18
    diisopropyl ether 4.64
    tert-amyl alcohol 13.54
    acetylacetone 62.34
    n-hexadecane 0.23
    acetophenone 45.29
    methyl propionate 54.76
    isopentyl acetate 25.59
    trichloroethylene 142.61
    n-nonanol 10.3
    cyclohexanol 23.23
    benzyl alcohol 44.31
    2-ethylhexanol 10.94
    isooctanol 10.64
    dipropyl ether 13.81
    1,2-dichlorobenzene 33.6
    ethyl lactate 25.99
    propylene carbonate 76.06
    n-methylformamide 84.17
    2-pentanol 14.0
    n-pentane 0.74
    1-propoxy-2-propanol 52.93
    1-methoxy-2-propyl acetate 49.45
    2-(2-methoxypropoxy) propanol 35.56
    mesitylene 6.55
    ε-caprolactone 105.94
    p-cymene 5.49
    epichlorohydrin 198.09
    1,1,1-trichloroethane 43.92
    2-aminoethanol 21.08
    morpholine-4-carbaldehyde 238.97
    sulfolane 220.36
    2,2,4-trimethylpentane 0.5
    2-methyltetrahydrofuran 95.21
    n-hexyl acetate 30.0
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 48.0
    sec-butyl acetate 20.85
    tert-butyl acetate 23.92
    decalin 1.06
    glycerin 23.93
    diglyme 81.7
    acrylic acid 46.7
    isopropyl myristate 8.85
    n-butyric acid 64.69
    acetyl acetate 31.9
    di(2-ethylhexyl) phthalate 15.86
    ethyl propionate 27.63
    nitromethane 107.82
    1,2-diethoxyethane 24.71
    benzonitrile 36.41
    trioctyl phosphate 10.62
    1-bromopropane 27.12
    gamma-valerolactone 279.11
    n-decanol 5.86
    triethyl phosphate 14.17
    4-methyl-2-pentanol 8.34
    propionitrile 27.7
    vinylene carbonate 81.02
    1,1,2-trichlorotrifluoroethane 128.35
    DMS 31.16
    cumene 7.49
    2-octanol 6.78
    2-hexanone 39.79
    octyl acetate 14.16
    limonene 6.65
    1,2-dimethoxyethane 96.08
    ethyl orthosilicate 12.91
    tributyl phosphate 11.06
    diacetone alcohol 40.4
    N,N-dimethylaniline 25.45
    acrylonitrile 40.55
    aniline 42.89
    1,3-propanediol 38.22
    bromobenzene 37.89
    dibromomethane 58.7
    1,1,2,2-tetrachloroethane 106.65
    2-methyl-cyclohexyl acetate 25.8
    tetrabutyl urea 17.65
    diisobutyl methanol 4.65
    2-phenylethanol 40.89
    styrene 16.6
    dioctyl adipate 18.5
    dimethyl sulfate 72.74
    ethyl butyrate 22.64
    methyl lactate 46.04
    butyl lactate 29.48
    diethyl carbonate 14.97
    propanediol butyl ether 36.64
    triethyl orthoformate 18.32
    p-tert-butyltoluene 5.08
    methyl 4-tert-butylbenzoate 33.78
    morpholine 162.76
    tert-butylamine 5.72
    n-dodecanol 3.43
    dimethoxymethane 123.54
    ethylene carbonate 63.53
    cyrene 70.34
    2-ethoxyethyl acetate 42.8
    2-ethylhexyl acetate 21.67
    1,2,4-trichlorobenzene 50.38
    4-methylpyridine 90.88
    dibutyl ether 6.98
    2,6-dimethyl-4-heptanol 4.65
    DEF 70.07
    dimethyl isosorbide 73.47
    tetrachloroethylene 62.81
    eugenol 39.57
    triacetin 32.73
    span 80 34.27
    1,4-butanediol 16.17
    1,1-dichloroethane 47.33
    2-methyl-1-pentanol 19.05
    methyl formate 57.29
    2-methyl-1-butanol 20.51
    n-decane 0.42
    butyronitrile 26.81
    3,7-dimethyl-1-octanol 7.68
    1-chlorooctane 3.72
    1-chlorotetradecane 1.06
    n-nonane 0.33
    undecane 0.26
    tert-butylcyclohexane 0.84
    cyclooctane 0.43
    cyclopentanol 46.67
    tetrahydropyran 81.07
    tert-amyl methyl ether 12.19
    2,5,8-trioxanonane 50.53
    1-hexene 5.63
    2-isopropoxyethanol 40.93
    2,2,2-trifluoroethanol 26.55
    methyl butyrate 39.54

    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