[2,2a(2)-Bibenzocyclodecene]-1,1a(2)-diol, 5,5a(2),8,8a(2),9,9a(2),12,12a(2)-octahydro-4,4a(2)-dimethoxy-7,7a(2),11,11a(2)-tetramethyl-, (6E,6a(2)E,10Z,10a(2)Z)-

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  • Identifiers

    CAS number
    117568-34-0

    Molecular formula
    C34H42O4

    SMILES
    C/C/1=C\CC2=C(C=C(C(=C2C/C(=C\CC1)/C)O)C3=CC(=C4C(=C3O)C/C(=C\CC/C(=C/C4)/C)/C)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 58.62%
    Woody 46.23%
    Sweet 40.91%
    Phenolic 39.25%
    Fruity 31.83%
    Powdery 29.1%
    Musk 28.6%
    Balsamic 28.46%
    Dry 28.14%
    Floral 25.83%

     

    Flavor
    Bitter 49.81%
    Woody 32.87%
    Spicy 29.87%
    Spice 27.02%
    Wood 23.69%
    Parsley 21.93%
    Floral 21.69%
    Lovage 21.1%
    Ripe apricot 20.86%
    Herbal 20.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    9.57 (weak base)

    Molecular weight
    514.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1403°C

    Flash point

    • 284.86 ˚C est.

  • Synonyms

    • DTXSID401103114
    • [2,2a(2)-Bibenzocyclodecene]-1,1a(2)-diol, 5,5a(2),8,8a(2),9,9a(2),12,12a(2)-octahydro-4,4a(2)-dimethoxy-7,7a(2),11,11a(2)-tetramethyl-, (6E,6a(2)E,10Z,10a(2)Z)-
    • 117568-34-0
    • 117568-34-0

  • Applications

    For the chemical [2,2a(2)-Bibenzocyclodecene]-1,1a(2)-diol, 5,5a(2),8,8a(2),9,9a(2),12,12a(2)-octahydro-4,4a(2)-dimethoxy-7,7a(2),11,11a(2)-tetramethyl-, (6E,6a(2)E,10Z,10a(2)Z)-, CAS 117568-34-0, practical applications focus on its role as a specialty intermediate and building block across several industries: in perfumery/fragrance, it may serve as a chiral scaffold or aroma precursor for high-end fragrance ingredients; in the pharmaceutical and fine chemicals sectors, it is commonly evaluated as an intermediate for synthetic routes; in polymers and plastics, it can function as a rigid diol monomer or crosslinkable component for polyurethanes and epoxy resins, contributing to material stiffness and thermal performance; in coatings and adhesives formulations, it is used as a reactive diol crosslinker to enhance hardness and chemical resistance of the resin system.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.15
    methanol 0.78
    isopropanol 1.21
    water 0.0
    ethyl acetate 22.3
    n-propanol 2.2
    acetone 6.95
    n-butanol 2.68
    acetonitrile 1.79
    DMF 15.32
    toluene 20.25
    isobutanol 1.96
    1,4-dioxane 19.3
    methyl acetate 14.17
    THF 43.6
    2-butanone 14.61
    n-pentanol 3.25
    sec-butanol 2.61
    n-hexane 1.22
    ethylene glycol 0.23
    NMP 49.96
    cyclohexane 1.2
    DMSO 9.09
    n-butyl acetate 19.99
    n-octanol 2.87
    chloroform 124.94
    n-propyl acetate 16.54
    acetic acid 8.37
    dichloromethane 73.99
    cyclohexanone 30.37
    propylene glycol 0.68
    isopropyl acetate 20.44
    DMAc 56.33
    2-ethoxyethanol 7.06
    isopentanol 3.16
    n-heptane 0.98
    ethyl formate 5.37
    1,2-dichloroethane 29.06
    n-hexanol 3.8
    2-methoxyethanol 6.16
    isobutyl acetate 13.58
    tetrachloromethane 12.31
    n-pentyl acetate 20.37
    transcutol 34.65
    n-heptanol 3.73
    ethylbenzene 11.77
    MIBK 12.12
    2-propoxyethanol 14.77
    tert-butanol 2.4
    MTBE 10.23
    2-butoxyethanol 11.69
    propionic acid 6.9
    o-xylene 12.85
    formic acid 1.57
    diethyl ether 9.22
    m-xylene 13.21
    p-xylene 12.31
    chlorobenzene 28.58
    dimethyl carbonate 18.81
    n-octane 0.44
    formamide 2.31
    cyclopentanone 35.91
    2-pentanone 14.73
    anisole 24.02
    cyclopentyl methyl ether 28.71
    gamma-butyrolactone 40.97
    1-methoxy-2-propanol 8.88
    pyridine 28.59
    3-pentanone 18.52
    furfural 32.95
    n-dodecane 0.31
    diethylene glycol 4.49
    diisopropyl ether 5.12
    tert-amyl alcohol 4.42
    acetylacetone 26.23
    n-hexadecane 0.38
    acetophenone 26.13
    methyl propionate 23.06
    isopentyl acetate 20.65
    trichloroethylene 117.17
    n-nonanol 3.91
    cyclohexanol 5.28
    benzyl alcohol 10.08
    2-ethylhexanol 5.23
    isooctanol 4.14
    dipropyl ether 12.03
    1,2-dichlorobenzene 33.56
    ethyl lactate 8.9
    propylene carbonate 26.93
    n-methylformamide 4.16
    2-pentanol 2.97
    n-pentane 0.75
    1-propoxy-2-propanol 14.22
    1-methoxy-2-propyl acetate 36.67
    2-(2-methoxypropoxy) propanol 18.81
    mesitylene 7.34
    ε-caprolactone 41.55
    p-cymene 6.49
    epichlorohydrin 58.79
    1,1,1-trichloroethane 47.57
    2-aminoethanol 0.74
    morpholine-4-carbaldehyde 42.05
    sulfolane 53.21
    2,2,4-trimethylpentane 1.07
    2-methyltetrahydrofuran 26.54
    n-hexyl acetate 18.76
    isooctane 0.57
    2-(2-butoxyethoxy)ethanol 17.53
    sec-butyl acetate 17.82
    tert-butyl acetate 24.51
    decalin 1.8
    glycerin 1.66
    diglyme 38.01
    acrylic acid 7.58
    isopropyl myristate 7.83
    n-butyric acid 13.24
    acetyl acetate 24.5
    di(2-ethylhexyl) phthalate 9.55
    ethyl propionate 21.45
    nitromethane 17.27
    1,2-diethoxyethane 20.29
    benzonitrile 9.33
    trioctyl phosphate 5.9
    1-bromopropane 18.69
    gamma-valerolactone 56.85
    n-decanol 2.52
    triethyl phosphate 15.79
    4-methyl-2-pentanol 3.03
    propionitrile 3.4
    vinylene carbonate 28.73
    1,1,2-trichlorotrifluoroethane 55.87
    DMS 26.54
    cumene 7.25
    2-octanol 2.89
    2-hexanone 15.2
    octyl acetate 9.16
    limonene 8.19
    1,2-dimethoxyethane 19.97
    ethyl orthosilicate 16.06
    tributyl phosphate 7.69
    diacetone alcohol 16.59
    N,N-dimethylaniline 18.7
    acrylonitrile 4.76
    aniline 13.79
    1,3-propanediol 1.8
    bromobenzene 39.97
    dibromomethane 42.64
    1,1,2,2-tetrachloroethane 93.91
    2-methyl-cyclohexyl acetate 20.26
    tetrabutyl urea 10.6
    diisobutyl methanol 4.04
    2-phenylethanol 11.93
    styrene 13.38
    dioctyl adipate 14.46
    dimethyl sulfate 37.19
    ethyl butyrate 19.51
    methyl lactate 10.77
    butyl lactate 14.35
    diethyl carbonate 14.41
    propanediol butyl ether 6.86
    triethyl orthoformate 20.94
    p-tert-butyltoluene 6.71
    methyl 4-tert-butylbenzoate 26.97
    morpholine 21.23
    tert-butylamine 1.64
    n-dodecanol 1.74
    dimethoxymethane 19.27
    ethylene carbonate 21.61
    cyrene 22.73
    2-ethoxyethyl acetate 32.46
    2-ethylhexyl acetate 19.34
    1,2,4-trichlorobenzene 49.37
    4-methylpyridine 31.12
    dibutyl ether 7.23
    2,6-dimethyl-4-heptanol 4.04
    DEF 26.84
    dimethyl isosorbide 45.05
    tetrachloroethylene 47.51
    eugenol 19.88
    triacetin 28.23
    span 80 15.08
    1,4-butanediol 0.92
    1,1-dichloroethane 29.83
    2-methyl-1-pentanol 4.98
    methyl formate 4.13
    2-methyl-1-butanol 3.78
    n-decane 0.68
    butyronitrile 3.53
    3,7-dimethyl-1-octanol 4.28
    1-chlorooctane 3.84
    1-chlorotetradecane 1.4
    n-nonane 0.53
    undecane 0.43
    tert-butylcyclohexane 1.64
    cyclooctane 0.85
    cyclopentanol 5.2
    tetrahydropyran 18.66
    tert-amyl methyl ether 13.93
    2,5,8-trioxanonane 27.04
    1-hexene 4.53
    2-isopropoxyethanol 7.8
    2,2,2-trifluoroethanol 5.32
    methyl butyrate 21.02

    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