6,8,9,10'-Tetrahydroxy-1',6,6',9,10'-pentamethylspiro[3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-3,13'-4-oxatetracyclo[10.2.1.02,11.03,7]pentadec-2(11)-ene]-2,5'-dione

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  • Identifiers

    CAS number
    113807-34-4

    Molecular formula
    C30H40O8

    SMILES
    CC1C2CCC(C3=C(C2OC1=O)C4(CC3C5(C4)C6CCC(C7=CC(C(C7C6OC5=O)(C)O)O)(C)O)C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.43%
    Sweet 36.7%
    Woody 36.07%
    Spicy 30.0%
    Balsamic 21.78%
    Vanilla 20.04%
    Mint 18.62%
    Powdery 18.55%
    Creamy 18.41%
    Cooling 18.26%

     

    Flavor
    Bitter 89.16%
    Fatty 22.99%
    Sweet-like 22.39%
    Cedarleaf 21.83%
    Bland 20.81%
    Ripe apricot 19.74%
    Lovage 19.36%
    Red fruit 19.35%
    Fenugreek 19.01%
    Leaves 18.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    5.15 (weak acid)

    Molecular weight
    528.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    2045°C

    Flash point

    • 203.29 ˚C est.

  • Synonyms

    • DTXSID501098017
    • 113807-34-4
    • rel-(3a(2)R,3aR,3a(2)aR,6a(2)R,9bR,10a(2)bR)-3a,3a(2)a,4,4a(2),5,5a(2),6,6a(2),7a(2),8,9,9a(2),9a,9b,10a(2),10a(2)b-Hexadecahydro-6,6a(2),8,9-tetrahydroxy-3a(2),6,6a(2),9,10a(2)-pentamethylspiro[azuleno[4,5-b]furan-3(2H),8a(2)-[7,10]methano[8H]benzo[6,7]cyclohepta[1,2-b]furan]-2,2a(2)(3a(2)H)-dione
    • 113807-34-4

  • Applications

    Chemical name: 6,8,9,10'-Tetrahydroxy-1',6,6',9,10'-pentamethylspiro[3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-3,13'-4-oxatetracyclo[10.2.1.02,11.03,7]pentadec-2(11)-ene]-2,5'-dione; CAS number: 113807-34-4. In practical applications, this polycyclic, hydroxylated ketone is typically used as a fragrance ingredient/odorant in perfumery and cosmetics, contributing distinctive scent characteristics and, in some formulations, acting as a light- to moderate-fixative. It is commonly evaluated as an intermediate or chiral building block in organic synthesis, enabling routes toward pharmaceuticals and other specialty chemicals. In industrial manufacturing, it may serve as a precursor for advanced materials or as a functional intermediate in specialty polymers or coatings. Formulation and use are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.54
    methanol 84.61
    isopropanol 14.47
    water 0.27
    ethyl acetate 12.23
    n-propanol 24.17
    acetone 43.19
    n-butanol 15.94
    acetonitrile 18.06
    DMF 167.27
    toluene 2.19
    isobutanol 10.63
    1,4-dioxane 48.35
    methyl acetate 16.63
    THF 98.61
    2-butanone 25.13
    n-pentanol 11.8
    sec-butanol 6.95
    n-hexane 0.11
    ethylene glycol 16.96
    NMP 82.33
    cyclohexane 0.16
    DMSO 179.0
    n-butyl acetate 10.33
    n-octanol 5.51
    chloroform 31.67
    n-propyl acetate 10.37
    acetic acid 73.65
    dichloromethane 22.51
    cyclohexanone 41.05
    propylene glycol 14.4
    isopropyl acetate 7.52
    DMAc 91.46
    2-ethoxyethanol 49.44
    isopentanol 8.33
    n-heptane 0.1
    ethyl formate 21.7
    1,2-dichloroethane 11.84
    n-hexanol 8.9
    2-methoxyethanol 103.98
    isobutyl acetate 6.55
    tetrachloromethane 3.05
    n-pentyl acetate 11.97
    transcutol 34.79
    n-heptanol 7.92
    ethylbenzene 1.27
    MIBK 8.43
    2-propoxyethanol 58.49
    tert-butanol 6.71
    MTBE 2.94
    2-butoxyethanol 34.61
    propionic acid 20.97
    o-xylene 1.13
    formic acid 63.45
    diethyl ether 6.07
    m-xylene 1.28
    p-xylene 1.81
    chlorobenzene 4.81
    dimethyl carbonate 17.22
    n-octane 0.08
    formamide 71.48
    cyclopentanone 67.04
    2-pentanone 17.43
    anisole 6.12
    cyclopentyl methyl ether 9.83
    gamma-butyrolactone 66.69
    1-methoxy-2-propanol 55.46
    pyridine 35.34
    3-pentanone 10.34
    furfural 61.2
    n-dodecane 0.07
    diethylene glycol 56.15
    diisopropyl ether 0.79
    tert-amyl alcohol 4.47
    acetylacetone 26.09
    n-hexadecane 0.08
    acetophenone 10.86
    methyl propionate 16.66
    isopentyl acetate 8.11
    trichloroethylene 32.36
    n-nonanol 5.79
    cyclohexanol 5.8
    benzyl alcohol 12.5
    2-ethylhexanol 3.18
    isooctanol 5.11
    dipropyl ether 3.34
    1,2-dichlorobenzene 4.57
    ethyl lactate 11.95
    propylene carbonate 24.3
    n-methylformamide 88.01
    2-pentanol 4.24
    n-pentane 0.11
    1-propoxy-2-propanol 24.58
    1-methoxy-2-propyl acetate 17.63
    2-(2-methoxypropoxy) propanol 17.86
    mesitylene 0.68
    ε-caprolactone 33.87
    p-cymene 0.93
    epichlorohydrin 67.21
    1,1,1-trichloroethane 6.35
    2-aminoethanol 30.62
    morpholine-4-carbaldehyde 116.32
    sulfolane 87.26
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 17.15
    n-hexyl acetate 12.67
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 27.59
    sec-butyl acetate 4.7
    tert-butyl acetate 6.12
    decalin 0.11
    glycerin 35.43
    diglyme 46.47
    acrylic acid 27.41
    isopropyl myristate 3.16
    n-butyric acid 26.84
    acetyl acetate 11.17
    di(2-ethylhexyl) phthalate 7.2
    ethyl propionate 7.8
    nitromethane 112.54
    1,2-diethoxyethane 9.47
    benzonitrile 11.29
    trioctyl phosphate 5.6
    1-bromopropane 3.35
    gamma-valerolactone 159.88
    n-decanol 3.17
    triethyl phosphate 4.05
    4-methyl-2-pentanol 2.58
    propionitrile 12.84
    vinylene carbonate 31.41
    1,1,2-trichlorotrifluoroethane 64.61
    DMS 10.99
    cumene 0.87
    2-octanol 3.59
    2-hexanone 13.03
    octyl acetate 5.95
    limonene 1.1
    1,2-dimethoxyethane 58.18
    ethyl orthosilicate 3.36
    tributyl phosphate 5.08
    diacetone alcohol 15.57
    N,N-dimethylaniline 4.18
    acrylonitrile 24.38
    aniline 7.22
    1,3-propanediol 44.72
    bromobenzene 3.53
    dibromomethane 10.25
    1,1,2,2-tetrachloroethane 21.48
    2-methyl-cyclohexyl acetate 6.87
    tetrabutyl urea 8.6
    diisobutyl methanol 1.27
    2-phenylethanol 12.76
    styrene 1.57
    dioctyl adipate 7.2
    dimethyl sulfate 29.08
    ethyl butyrate 6.45
    methyl lactate 24.64
    butyl lactate 15.32
    diethyl carbonate 4.53
    propanediol butyl ether 27.93
    triethyl orthoformate 5.32
    p-tert-butyltoluene 0.75
    methyl 4-tert-butylbenzoate 12.31
    morpholine 61.17
    tert-butylamine 1.76
    n-dodecanol 1.7
    dimethoxymethane 76.75
    ethylene carbonate 25.56
    cyrene 28.56
    2-ethoxyethyl acetate 20.47
    2-ethylhexyl acetate 5.84
    1,2,4-trichlorobenzene 6.64
    4-methylpyridine 19.46
    dibutyl ether 2.45
    2,6-dimethyl-4-heptanol 1.27
    DEF 23.04
    dimethyl isosorbide 27.16
    tetrachloroethylene 15.72
    eugenol 17.75
    triacetin 13.9
    span 80 15.94
    1,4-butanediol 18.71
    1,1-dichloroethane 7.39
    2-methyl-1-pentanol 6.08
    methyl formate 60.67
    2-methyl-1-butanol 7.35
    n-decane 0.16
    butyronitrile 11.56
    3,7-dimethyl-1-octanol 3.09
    1-chlorooctane 1.14
    1-chlorotetradecane 0.33
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.08
    cyclooctane 0.06
    cyclopentanol 12.19
    tetrahydropyran 17.68
    tert-amyl methyl ether 2.2
    2,5,8-trioxanonane 28.09
    1-hexene 0.82
    2-isopropoxyethanol 21.84
    2,2,2-trifluoroethanol 26.45
    methyl butyrate 12.57

    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