Gossypol hexaacetate

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  • Identifiers

    CAS number
    30719-67-6

    Molecular formula
    C42H42O14

    SMILES
    CC1=CC2=C(C(=C(C(=C2C(C)C)OC(=O)C)OC(=O)C)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)OC(=O)C)OC(=O)C)C(C)C)OC(=O)C)OC(=O)C

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  • Odor profile

    Fragrance
    Floral 43.02%
    Fruity 41.25%
    Odorless 38.99%
    Dry 35.35%
    Musk 30.71%
    Woody 29.88%
    Phenolic 29.68%
    Powdery 29.53%
    Balsamic 28.05%
    Animal 24.65%

     

    Flavor
    Bitter 51.91%
    Odorless 31.04%
    Mild 25.3%
    Bland 22.97%
    Woody 20.78%
    Parsley 20.21%
    Heather 20.08%
    Broom 20.04%
    Heliotropin 19.64%
    Powdery 19.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    1.44 (strong acid)

    Molecular weight
    770.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    504°C

    Flash point

    • 284.53 ˚C est.

  • Synonyms

    • 30719-67-6
    • NSC89309
    • Gossypol hexaacetate
    • NSC 89309
    • (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-, hexaacetate
    • CHEMBL447686
    • SCHEMBL29699445
    • SCHEMBL31607468
    • DTXSID10184744
    • BDBM50480328
    • NSC-89309
    • [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexakis(acetyloxy)-3,3'-dimethyl-5,5'-bis(1-methylethyl)-
    • [3,8-diacetoxy-1-formyl-4-isopropyl-6-methyl-7-(1,6,7-triacetoxy-8-formyl-5-isopropyl-3-methyl-2-naphthyl)-2-naphthyl] acetate
    • 8,8'-Diformyl-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate
    • 30719-67-6

  • Applications

    Gossypol hexaacetate (CAS 30719-67-6) is an acetylated derivative of gossypol and is commonly treated as an intermediate in organic synthesis; it is studied as a pigment precursor and a starting material for coatings and inks in the polymer and coatings industry; it can act as a ligand in coordination chemistry for metal complexation in analytical and synthetic contexts; due to its natural product origin, it is examined in agricultural research for biological activity and potential natural-product–based applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.97
    methanol 6.61
    isopropanol 4.84
    water 0.04
    ethyl acetate 32.02
    n-propanol 7.52
    acetone 40.08
    n-butanol 5.19
    acetonitrile 18.79
    DMF 68.07
    toluene 10.41
    isobutanol 4.87
    1,4-dioxane 43.18
    methyl acetate 48.51
    THF 91.58
    2-butanone 44.06
    n-pentanol 5.03
    sec-butanol 6.65
    n-hexane 0.61
    ethylene glycol 2.28
    NMP 203.08
    cyclohexane 0.9
    DMSO 78.84
    n-butyl acetate 18.19
    n-octanol 2.38
    chloroform 93.64
    n-propyl acetate 23.6
    acetic acid 45.82
    dichloromethane 97.52
    cyclohexanone 62.44
    propylene glycol 3.3
    isopropyl acetate 15.64
    DMAc 147.83
    2-ethoxyethanol 16.76
    isopentanol 3.69
    n-heptane 0.27
    ethyl formate 23.47
    1,2-dichloroethane 48.22
    n-hexanol 3.14
    2-methoxyethanol 22.33
    isobutyl acetate 10.62
    tetrachloromethane 10.86
    n-pentyl acetate 14.01
    transcutol 17.24
    n-heptanol 2.57
    ethylbenzene 5.2
    MIBK 8.89
    2-propoxyethanol 17.94
    tert-butanol 4.1
    MTBE 7.33
    2-butoxyethanol 12.28
    propionic acid 27.93
    o-xylene 5.9
    formic acid 15.65
    diethyl ether 10.36
    m-xylene 3.63
    p-xylene 7.94
    chlorobenzene 22.94
    dimethyl carbonate 30.25
    n-octane 0.19
    formamide 23.29
    cyclopentanone 100.84
    2-pentanone 22.95
    anisole 14.92
    cyclopentyl methyl ether 19.58
    gamma-butyrolactone 137.49
    1-methoxy-2-propanol 13.74
    pyridine 63.04
    3-pentanone 25.27
    furfural 90.96
    n-dodecane 0.18
    diethylene glycol 10.81
    diisopropyl ether 1.8
    tert-amyl alcohol 5.95
    acetylacetone 37.99
    n-hexadecane 0.21
    acetophenone 24.73
    methyl propionate 38.14
    isopentyl acetate 12.18
    trichloroethylene 120.97
    n-nonanol 2.76
    cyclohexanol 7.49
    benzyl alcohol 13.25
    2-ethylhexanol 2.59
    isooctanol 1.99
    dipropyl ether 5.62
    1,2-dichlorobenzene 21.17
    ethyl lactate 12.05
    propylene carbonate 60.93
    n-methylformamide 34.17
    2-pentanol 3.05
    n-pentane 0.45
    1-propoxy-2-propanol 11.26
    1-methoxy-2-propyl acetate 20.55
    2-(2-methoxypropoxy) propanol 13.62
    mesitylene 1.52
    ε-caprolactone 68.04
    p-cymene 2.11
    epichlorohydrin 120.12
    1,1,1-trichloroethane 43.37
    2-aminoethanol 4.83
    morpholine-4-carbaldehyde 101.33
    sulfolane 168.21
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 48.62
    n-hexyl acetate 12.94
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 13.16
    sec-butyl acetate 13.19
    tert-butyl acetate 11.53
    decalin 0.54
    glycerin 6.65
    diglyme 28.44
    acrylic acid 34.38
    isopropyl myristate 4.65
    n-butyric acid 23.67
    acetyl acetate 28.97
    di(2-ethylhexyl) phthalate 8.09
    ethyl propionate 22.7
    nitromethane 103.29
    1,2-diethoxyethane 11.37
    benzonitrile 17.71
    trioctyl phosphate 4.96
    1-bromopropane 20.02
    gamma-valerolactone 131.08
    n-decanol 2.02
    triethyl phosphate 11.03
    4-methyl-2-pentanol 1.42
    propionitrile 14.39
    vinylene carbonate 59.3
    1,1,2-trichlorotrifluoroethane 87.39
    DMS 27.01
    cumene 2.85
    2-octanol 1.81
    2-hexanone 20.19
    octyl acetate 7.72
    limonene 2.69
    1,2-dimethoxyethane 34.69
    ethyl orthosilicate 8.51
    tributyl phosphate 6.59
    diacetone alcohol 12.56
    N,N-dimethylaniline 9.46
    acrylonitrile 23.9
    aniline 15.13
    1,3-propanediol 6.86
    bromobenzene 21.85
    dibromomethane 51.45
    1,1,2,2-tetrachloroethane 86.96
    2-methyl-cyclohexyl acetate 13.4
    tetrabutyl urea 10.88
    diisobutyl methanol 1.0
    2-phenylethanol 9.81
    styrene 7.01
    dioctyl adipate 11.56
    dimethyl sulfate 65.68
    ethyl butyrate 15.24
    methyl lactate 17.68
    butyl lactate 10.4
    diethyl carbonate 13.32
    propanediol butyl ether 6.87
    triethyl orthoformate 11.05
    p-tert-butyltoluene 1.6
    methyl 4-tert-butylbenzoate 14.99
    morpholine 50.55
    tert-butylamine 1.87
    n-dodecanol 1.5
    dimethoxymethane 32.25
    ethylene carbonate 44.21
    cyrene 30.94
    2-ethoxyethyl acetate 26.23
    2-ethylhexyl acetate 11.7
    1,2,4-trichlorobenzene 37.03
    4-methylpyridine 47.29
    dibutyl ether 4.04
    2,6-dimethyl-4-heptanol 1.0
    DEF 39.63
    dimethyl isosorbide 29.7
    tetrachloroethylene 49.73
    eugenol 13.55
    triacetin 22.18
    span 80 10.18
    1,4-butanediol 3.67
    1,1-dichloroethane 39.34
    2-methyl-1-pentanol 4.43
    methyl formate 35.5
    2-methyl-1-butanol 5.11
    n-decane 0.31
    butyronitrile 11.08
    3,7-dimethyl-1-octanol 1.88
    1-chlorooctane 2.09
    1-chlorotetradecane 0.91
    n-nonane 0.25
    undecane 0.23
    tert-butylcyclohexane 0.32
    cyclooctane 0.2
    cyclopentanol 14.92
    tetrahydropyran 28.72
    tert-amyl methyl ether 7.65
    2,5,8-trioxanonane 20.13
    1-hexene 3.16
    2-isopropoxyethanol 11.18
    2,2,2-trifluoroethanol 27.08
    methyl butyrate 29.43

    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