6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, decahydro-2,4,7a,11-tetrahydroxy-3,7,10-trimethyl-4-(1-methylethyl)-, (2S,3S,4S,7S,7aS,10S,11R,11aR)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    64979-94-8

    Molecular formula
    C20H30O7

    SMILES
    CC1CCC2(C3(CC4(C(C(=O)C2(C1O)O4)(C(CC3=O)(C(C)C)O)C)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.67%
    Woody 42.2%
    Sweet 38.06%
    Spicy 29.63%
    Cooling 27.37%
    Camphoreous 25.58%
    Mint 25.27%
    Earthy 21.15%
    Herbal 20.27%
    Dry 19.97%

     

    Flavor
    Bitter 77.56%
    Sweet-like 23.69%
    Cedarleaf 22.64%
    Odorless 22.3%
    Fatty 21.54%
    Ripe apricot 20.63%
    Patchouli 20.41%
    Red fruit 20.39%
    Fenugreek 20.28%
    Bland 20.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    6.87 (neutral)

    Molecular weight
    382.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    422°C

    Melting point expt.

    • 221 - 222 °C

    Flash point

    • 203.5 ˚C est.

  • Synonyms

    • 64979-94-8
    • 6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, decahydro-2,4,7a,11-tetrahydroxy-3,7,10-trimethyl-4-(1-methylethyl)-, (2S,3S,4S,7S,7aS,10S,11R,11aR)-
    • RefChem:309519
    • DTXSID901100327
    • 64979-94-8

  • Applications

    6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, decahydro-2,4,7a,11-tetrahydroxy-3,7,10-trimethyl-4-(1-methylethyl)-, (2S,3S,4S,7S,7aS,10S,11R,11aR)- (CAS 64979-94-8) is regarded as a chemical building block and specialty intermediate in chemical manufacture, with potential uses in pharmaceutical and agrochemical synthesis. Its polyhydroxylated structure supports consideration as a polyol component in specialty polymers and coatings, potentially aiding crosslinking and binder performance. In cosmetics and personal care, it may be evaluated as an antioxidant stabilizer or humectant, depending on formulation context. It may also serve as a functional additive in coatings, inks, and cleaning formulations, where the multiple hydroxyl groups can influence viscosity, film-forming properties, and compatibility, always subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.46
    methanol 87.18
    isopropanol 23.15
    water 1.81
    ethyl acetate 23.47
    n-propanol 25.9
    acetone 49.66
    n-butanol 23.54
    acetonitrile 14.7
    DMF 209.48
    toluene 9.66
    isobutanol 16.58
    1,4-dioxane 79.33
    methyl acetate 27.6
    THF 146.96
    2-butanone 39.72
    n-pentanol 17.62
    sec-butanol 14.81
    n-hexane 0.52
    ethylene glycol 28.17
    NMP 193.97
    cyclohexane 1.21
    DMSO 255.48
    n-butyl acetate 22.47
    n-octanol 6.19
    chloroform 39.84
    n-propyl acetate 18.12
    acetic acid 43.48
    dichloromethane 34.36
    cyclohexanone 83.81
    propylene glycol 22.44
    isopropyl acetate 16.99
    DMAc 135.99
    2-ethoxyethanol 45.49
    isopentanol 16.31
    n-heptane 0.42
    ethyl formate 31.23
    1,2-dichloroethane 28.01
    n-hexanol 20.14
    2-methoxyethanol 103.27
    isobutyl acetate 12.26
    tetrachloromethane 8.37
    n-pentyl acetate 16.72
    transcutol 18.67
    n-heptanol 12.06
    ethylbenzene 5.62
    MIBK 17.81
    2-propoxyethanol 69.13
    tert-butanol 18.1
    MTBE 5.77
    2-butoxyethanol 33.33
    propionic acid 27.08
    o-xylene 6.98
    formic acid 64.01
    diethyl ether 11.45
    m-xylene 6.91
    p-xylene 7.74
    chlorobenzene 15.14
    dimethyl carbonate 33.64
    n-octane 0.27
    formamide 78.23
    cyclopentanone 137.31
    2-pentanone 31.14
    anisole 12.05
    cyclopentyl methyl ether 30.18
    gamma-butyrolactone 131.4
    1-methoxy-2-propanol 66.57
    pyridine 51.35
    3-pentanone 24.12
    furfural 95.25
    n-dodecane 0.23
    diethylene glycol 78.6
    diisopropyl ether 2.68
    tert-amyl alcohol 10.99
    acetylacetone 43.23
    n-hexadecane 0.28
    acetophenone 25.68
    methyl propionate 32.63
    isopentyl acetate 18.69
    trichloroethylene 53.11
    n-nonanol 6.56
    cyclohexanol 22.25
    benzyl alcohol 24.1
    2-ethylhexanol 8.79
    isooctanol 8.6
    dipropyl ether 6.61
    1,2-dichlorobenzene 16.16
    ethyl lactate 21.11
    propylene carbonate 54.58
    n-methylformamide 97.5
    2-pentanol 10.52
    n-pentane 0.58
    1-propoxy-2-propanol 31.71
    1-methoxy-2-propyl acetate 34.33
    2-(2-methoxypropoxy) propanol 19.52
    mesitylene 4.25
    ε-caprolactone 61.95
    p-cymene 4.8
    epichlorohydrin 104.69
    1,1,1-trichloroethane 16.6
    2-aminoethanol 34.03
    morpholine-4-carbaldehyde 160.67
    sulfolane 200.5
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 44.37
    n-hexyl acetate 15.16
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 21.3
    sec-butyl acetate 11.6
    tert-butyl acetate 15.16
    decalin 0.94
    glycerin 58.39
    diglyme 39.92
    acrylic acid 34.19
    isopropyl myristate 6.04
    n-butyric acid 33.08
    acetyl acetate 22.38
    di(2-ethylhexyl) phthalate 12.38
    ethyl propionate 16.8
    nitromethane 89.02
    1,2-diethoxyethane 10.28
    benzonitrile 23.83
    trioctyl phosphate 10.73
    1-bromopropane 10.05
    gamma-valerolactone 168.73
    n-decanol 4.44
    triethyl phosphate 11.39
    4-methyl-2-pentanol 7.05
    propionitrile 17.01
    vinylene carbonate 54.67
    1,1,2-trichlorotrifluoroethane 86.0
    DMS 23.26
    cumene 4.21
    2-octanol 5.94
    2-hexanone 22.28
    octyl acetate 8.97
    limonene 5.83
    1,2-dimethoxyethane 63.61
    ethyl orthosilicate 9.51
    tributyl phosphate 9.47
    diacetone alcohol 30.67
    N,N-dimethylaniline 11.88
    acrylonitrile 30.63
    aniline 18.04
    1,3-propanediol 47.63
    bromobenzene 12.39
    dibromomethane 20.61
    1,1,2,2-tetrachloroethane 43.81
    2-methyl-cyclohexyl acetate 16.85
    tetrabutyl urea 16.07
    diisobutyl methanol 4.42
    2-phenylethanol 28.07
    styrene 5.42
    dioctyl adipate 10.99
    dimethyl sulfate 70.42
    ethyl butyrate 14.85
    methyl lactate 43.87
    butyl lactate 18.01
    diethyl carbonate 11.33
    propanediol butyl ether 20.36
    triethyl orthoformate 11.95
    p-tert-butyltoluene 4.1
    methyl 4-tert-butylbenzoate 23.53
    morpholine 85.01
    tert-butylamine 5.58
    n-dodecanol 3.06
    dimethoxymethane 107.43
    ethylene carbonate 46.67
    cyrene 54.38
    2-ethoxyethyl acetate 23.27
    2-ethylhexyl acetate 15.74
    1,2,4-trichlorobenzene 21.39
    4-methylpyridine 40.23
    dibutyl ether 3.22
    2,6-dimethyl-4-heptanol 4.42
    DEF 47.33
    dimethyl isosorbide 44.38
    tetrachloroethylene 34.76
    eugenol 25.04
    triacetin 18.79
    span 80 19.2
    1,4-butanediol 25.6
    1,1-dichloroethane 16.44
    2-methyl-1-pentanol 12.7
    methyl formate 83.12
    2-methyl-1-butanol 14.01
    n-decane 0.41
    butyronitrile 16.33
    3,7-dimethyl-1-octanol 5.4
    1-chlorooctane 2.51
    1-chlorotetradecane 1.03
    n-nonane 0.32
    undecane 0.3
    tert-butylcyclohexane 0.67
    cyclooctane 0.48
    cyclopentanol 39.48
    tetrahydropyran 37.04
    tert-amyl methyl ether 6.3
    2,5,8-trioxanonane 29.73
    1-hexene 2.49
    2-isopropoxyethanol 25.28
    2,2,2-trifluoroethanol 35.13
    methyl butyrate 24.16

    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