6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-3,7,10-trimethyl-4-(1-methylethyl)-, (2S,3S,7S,7aS,10S,11R,11aR)-

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  • Identifiers

    CAS number
    73599-14-1

    Molecular formula
    C20H28O6

    SMILES
    C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@](C(=CC3=O)C(C)C)(C(=O)[C@]2([C@@H]1O)O4)C)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.21%
    Woody 40.56%
    Sweet 31.76%
    Spicy 31.43%
    Mint 25.06%
    Cooling 23.65%
    Camphoreous 22.13%
    Burnt 20.49%
    Dry 19.91%
    Caramellic 19.28%

     

    Flavor
    Bitter 85.25%
    Cedarleaf 22.59%
    Sweet-like 21.37%
    Bland 20.46%
    Ripe apricot 20.18%
    Red fruit 19.96%
    Parsley 19.71%
    Leaves 19.71%
    Lovage 19.64%
    Fenugreek 19.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.04 (neutral)

    Molecular weight
    364.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    715°C

    Flash point

    • 193.79 ˚C est.

  • Synonyms

    • 6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-3,7,10-trimethyl-4-(1-methylethyl)-, (2S,3S,7S,7aS,10S,11R,11aR)-
    • 73599-14-1
    • (1S,2S,5S,6R,7R,9S,10S)-2,6,9-trihydroxy-1,5,10-trimethyl-11-propan-2-yl-8-oxatetracyclo(7.4.1.17,10.02,7)pentadec-11-ene-13,15-dione
    • (1S,2S,5S,6R,7R,9S,10S)-2,6,9-trihydroxy-1,5,10-trimethyl-11-propan-2-yl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadec-11-ene-13,15-dione
    • RefChem:105380
    • DTXSID201099585
    • 73599-14-1

  • Applications

    6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-3,7,10-trimethyl-4-(1-methylethyl)-, (2S,3S,7S,7aS,10S,11R,11aR)- (CAS 73599-14-1) has applications across fragrance chemistry as an odorant or fragrance intermediate; cosmetics/personal care as a chiral intermediate; pharmaceuticals as a synthetic building block; industrial manufacturing as a specialized synthetic intermediate; coatings/inks as a functional additive or crosslinking precursor; and potentially as a polymer or plastic additive depending on reactivity, always subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.54
    methanol 39.72
    isopropanol 14.22
    water 1.01
    ethyl acetate 15.11
    n-propanol 15.79
    acetone 28.96
    n-butanol 14.43
    acetonitrile 11.49
    DMF 115.94
    toluene 8.83
    isobutanol 10.85
    1,4-dioxane 46.59
    methyl acetate 19.55
    THF 73.89
    2-butanone 28.53
    n-pentanol 11.85
    sec-butanol 9.79
    n-hexane 0.32
    ethylene glycol 14.39
    NMP 111.38
    cyclohexane 0.86
    DMSO 122.48
    n-butyl acetate 17.11
    n-octanol 6.0
    chloroform 29.58
    n-propyl acetate 13.06
    acetic acid 22.12
    dichloromethane 24.29
    cyclohexanone 57.45
    propylene glycol 10.42
    isopropyl acetate 12.79
    DMAc 89.64
    2-ethoxyethanol 27.35
    isopentanol 11.62
    n-heptane 0.28
    ethyl formate 19.1
    1,2-dichloroethane 21.31
    n-hexanol 15.81
    2-methoxyethanol 54.5
    isobutyl acetate 10.66
    tetrachloromethane 6.4
    n-pentyl acetate 15.14
    transcutol 13.4
    n-heptanol 11.29
    ethylbenzene 5.53
    MIBK 14.45
    2-propoxyethanol 42.34
    tert-butanol 12.16
    MTBE 4.82
    2-butoxyethanol 25.43
    propionic acid 16.05
    o-xylene 6.71
    formic acid 29.77
    diethyl ether 7.67
    m-xylene 6.39
    p-xylene 7.89
    chlorobenzene 14.05
    dimethyl carbonate 21.39
    n-octane 0.24
    formamide 39.7
    cyclopentanone 78.78
    2-pentanone 20.83
    anisole 10.14
    cyclopentyl methyl ether 19.17
    gamma-butyrolactone 69.24
    1-methoxy-2-propanol 36.63
    pyridine 37.48
    3-pentanone 18.23
    furfural 58.66
    n-dodecane 0.25
    diethylene glycol 46.9
    diisopropyl ether 2.18
    tert-amyl alcohol 7.93
    acetylacetone 28.69
    n-hexadecane 0.31
    acetophenone 21.21
    methyl propionate 20.71
    isopentyl acetate 15.43
    trichloroethylene 38.63
    n-nonanol 6.61
    cyclohexanol 15.43
    benzyl alcohol 19.1
    2-ethylhexanol 7.94
    isooctanol 8.6
    dipropyl ether 4.45
    1,2-dichlorobenzene 14.71
    ethyl lactate 14.74
    propylene carbonate 33.16
    n-methylformamide 52.68
    2-pentanol 6.96
    n-pentane 0.35
    1-propoxy-2-propanol 20.95
    1-methoxy-2-propyl acetate 23.74
    2-(2-methoxypropoxy) propanol 16.4
    mesitylene 4.11
    ε-caprolactone 39.81
    p-cymene 5.03
    epichlorohydrin 62.48
    1,1,1-trichloroethane 13.69
    2-aminoethanol 18.35
    morpholine-4-carbaldehyde 95.73
    sulfolane 107.45
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 27.19
    n-hexyl acetate 14.32
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 16.86
    sec-butyl acetate 9.02
    tert-butyl acetate 11.76
    decalin 0.82
    glycerin 27.87
    diglyme 30.1
    acrylic acid 19.87
    isopropyl myristate 6.02
    n-butyric acid 20.01
    acetyl acetate 15.57
    di(2-ethylhexyl) phthalate 11.94
    ethyl propionate 11.97
    nitromethane 46.98
    1,2-diethoxyethane 8.18
    benzonitrile 21.67
    trioctyl phosphate 10.16
    1-bromopropane 7.89
    gamma-valerolactone 95.36
    n-decanol 4.65
    triethyl phosphate 9.3
    4-methyl-2-pentanol 5.71
    propionitrile 14.54
    vinylene carbonate 35.35
    1,1,2-trichlorotrifluoroethane 50.28
    DMS 18.99
    cumene 4.43
    2-octanol 5.96
    2-hexanone 17.63
    octyl acetate 8.6
    limonene 5.4
    1,2-dimethoxyethane 38.41
    ethyl orthosilicate 7.86
    tributyl phosphate 9.05
    diacetone alcohol 21.29
    N,N-dimethylaniline 10.5
    acrylonitrile 23.07
    aniline 14.12
    1,3-propanediol 26.16
    bromobenzene 11.71
    dibromomethane 15.1
    1,1,2,2-tetrachloroethane 30.64
    2-methyl-cyclohexyl acetate 14.72
    tetrabutyl urea 15.26
    diisobutyl methanol 4.01
    2-phenylethanol 23.77
    styrene 5.41
    dioctyl adipate 10.17
    dimethyl sulfate 41.78
    ethyl butyrate 10.91
    methyl lactate 25.06
    butyl lactate 14.8
    diethyl carbonate 8.94
    propanediol butyl ether 15.06
    triethyl orthoformate 9.03
    p-tert-butyltoluene 4.21
    methyl 4-tert-butylbenzoate 20.9
    morpholine 48.23
    tert-butylamine 4.35
    n-dodecanol 3.24
    dimethoxymethane 58.25
    ethylene carbonate 29.97
    cyrene 39.13
    2-ethoxyethyl acetate 19.33
    2-ethylhexyl acetate 13.42
    1,2,4-trichlorobenzene 18.79
    4-methylpyridine 29.74
    dibutyl ether 3.07
    2,6-dimethyl-4-heptanol 4.01
    DEF 32.12
    dimethyl isosorbide 33.36
    tetrachloroethylene 25.16
    eugenol 22.98
    triacetin 15.64
    span 80 16.22
    1,4-butanediol 15.4
    1,1-dichloroethane 12.97
    2-methyl-1-pentanol 10.43
    methyl formate 43.13
    2-methyl-1-butanol 10.13
    n-decane 0.43
    butyronitrile 13.34
    3,7-dimethyl-1-octanol 5.4
    1-chlorooctane 2.71
    1-chlorotetradecane 1.2
    n-nonane 0.31
    undecane 0.32
    tert-butylcyclohexane 0.61
    cyclooctane 0.34
    cyclopentanol 23.13
    tetrahydropyran 22.98
    tert-amyl methyl ether 5.1
    2,5,8-trioxanonane 23.84
    1-hexene 1.77
    2-isopropoxyethanol 17.32
    2,2,2-trifluoroethanol 18.93
    methyl butyrate 16.86

    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