Gossypol Acetic Acid

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  • Identifiers

    CAS number
    12542-36-8

    Molecular formula
    C32H34O10

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 52.24%
    Odorless 36.23%
    Spicy 34.56%
    Burnt 33.56%
    Smoky 31.24%
    Dry 30.71%
    Woody 29.2%
    Medicinal 24.49%
    Balsamic 21.16%
    Leathery 20.31%

     

    Flavor
    Bitter 87.43%
    Odorless 28.01%
    Bland 24.69%
    Cedarleaf 20.69%
    Sweet-like 20.32%
    Parsley 20.09%
    Nitrile 19.75%
    Eugenol 19.66%
    Mild 19.53%
    Lovage 19.47%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.6 (weak base)

    Molecular weight
    578.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3028°C

    Flash point

    • 316.29 ˚C est.

  • Synonyms

    • Gossypol acetic acid
    • 12542-36-8
    • NSC-19048
    • S7RL72610R
    • DTXSID901059687
    • RefChem:782656
    • 623-939-3
    • gossypol-Acetic acid
    • Gossypol acetate
    • 866541-93-7
    • Acetate gossypol
    • 5453-04-3
    • Gossypol (acetic acid)
    • 1189561-66-7
    • AT101
    • (S)-Gossypol (acetic acid)
    • (-)-Gossypol acetic acid
    • (R)-(-)-Gossypol acetic acid
    • Gossypol acetate, (R)-
    • (R)-Gossypol acetic acid
    • Gossypol acetic acid, R-
    • Gossypol xAcetate
    • Gossypol acetic acid, (R)-
    • R-(-)-gossypol acetic acid
    • Gossypol acetic acid clathrate
    • (R)-Gossypol acetic acid salt
    • acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
    • MFCD00058385
    • NSC 19048
    • U9GNI6VT5N
    • (+/-)-Gossypol acetic acid
    • MLS000028630
    • MLS002702979
    • NSC19048
    • SMR000058743
    • 12542-36-8 (ACETIC ACID)
    • (S)-Gossypol acetic acid
    • 115038-46-5
    • 732279-26-4
    • acetic acid compound with (S)-1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1:1)
    • GOSSYPOLACETATE
    • (+/-)-Gossypol-acetic acid;BL 193 (acetic acid)
    • UNII-U9GNI6VT5N
    • Acetate-gossypol
    • GossypolAcOHSalt
    • Gossypol AcOH Salt
    • C32H34O10
    • acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde
    • Opera_ID_1014
    • Gossypol acetic acid [MI]
    • SCHEMBL352576
    • orb1300804
    • orb1305100
    • orb1707767
    • CHEMBL1516388
    • Gossypol acetic acid [WHO-DD]
    • HMS500I15
    • DTXSID90921593
    • HMS3651H13
    • HMS5080D08
    • Gossypol (acetic acid) (Standard)
    • HEB27926
    • RJB54193
    • CCG-39212
    • HY-15464A
    • HY-17510R
    • MSK167547
    • NSC727858
    • s2303
    • s2812
    • AKOS022188380
    • AT-101 (AT101)
    • CS-3859
    • FG32702
    • NSC-727858
    • NCGC00178279-01
    • AC-34098
    • AS-15487
    • DA-50760
    • DA-59684
    • DA-60718
    • HY-17510
    • DB-081879
    • G0543
    • SW197103-3
    • F85115
    • F85296
    • ()-Gossypol-acetic acid;BL 193 (acetic acid)
    • ( inverted exclamation markA)-Gossypol-acetic acid
    • 542G368
    • F556526
    • Gossypol Acetate extracted from Gossypium Hirsurun Linn. Seed
    • ( inverted exclamation markA)-Gossypol-acetic acid; 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde acetic acid
    • 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde acetate salt
    • Acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde
    • Acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1:1)
    • Acetic acid--1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1/1)
    • aceticacid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
    • 12542-36-8

  • Applications

    Applications of Gossypol Acetic Acid span several specialty chemical areas: it is commonly used as an intermediate in organic synthesis for the preparation of gossypol-derived compounds; due to its polyphenolic structure, it may function as an antioxidant and stabilizer in polymer formulations and coatings; it can serve as a pigment/dye precursor for specialty coatings and inks; it is occasionally evaluated for cosmetics/personal care as a natural-product-derived additive, subject to regulatory review; and it is investigated in agricultural chemistry for potential biocidal or crop-protection applications. These applications are typically pursued in research or specialty production settings and must comply with local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.5
    methanol 1.41
    isopropanol 0.88
    water 0.01
    ethyl acetate 1.09
    n-propanol 1.54
    acetone 2.49
    n-butanol 0.94
    acetonitrile 0.79
    DMF 8.18
    toluene 0.8
    isobutanol 0.85
    1,4-dioxane 5.38
    methyl acetate 1.93
    THF 16.5
    2-butanone 3.18
    n-pentanol 1.2
    sec-butanol 0.88
    n-hexane 0.07
    ethylene glycol 0.83
    NMP 13.4
    cyclohexane 0.06
    DMSO 11.37
    n-butyl acetate 1.44
    n-octanol 0.8
    chloroform 2.46
    n-propyl acetate 1.43
    acetic acid 2.82
    dichloromethane 2.54
    cyclohexanone 4.78
    propylene glycol 0.79
    isopropyl acetate 0.86
    DMAc 10.84
    2-ethoxyethanol 3.65
    isopentanol 0.69
    n-heptane 0.08
    ethyl formate 1.28
    1,2-dichloroethane 2.01
    n-hexanol 1.05
    2-methoxyethanol 4.56
    isobutyl acetate 0.85
    tetrachloromethane 0.45
    n-pentyl acetate 2.23
    transcutol 2.64
    n-heptanol 1.16
    ethylbenzene 0.49
    MIBK 0.95
    2-propoxyethanol 4.64
    tert-butanol 0.88
    MTBE 0.89
    2-butoxyethanol 3.7
    propionic acid 1.83
    o-xylene 0.47
    formic acid 1.89
    diethyl ether 0.99
    m-xylene 0.4
    p-xylene 0.64
    chlorobenzene 0.79
    dimethyl carbonate 1.79
    n-octane 0.07
    formamide 2.7
    cyclopentanone 9.83
    2-pentanone 1.69
    anisole 1.05
    cyclopentyl methyl ether 2.4
    gamma-butyrolactone 8.66
    1-methoxy-2-propanol 2.76
    pyridine 5.65
    3-pentanone 1.62
    furfural 5.85
    n-dodecane 0.04
    diethylene glycol 3.41
    diisopropyl ether 0.21
    tert-amyl alcohol 1.0
    acetylacetone 2.11
    n-hexadecane 0.05
    acetophenone 1.77
    methyl propionate 1.89
    isopentyl acetate 1.23
    trichloroethylene 3.9
    n-nonanol 0.88
    cyclohexanol 0.8
    benzyl alcohol 1.61
    2-ethylhexanol 0.66
    isooctanol 0.88
    dipropyl ether 0.94
    1,2-dichlorobenzene 0.72
    ethyl lactate 1.12
    propylene carbonate 2.45
    n-methylformamide 3.44
    2-pentanol 0.47
    n-pentane 0.05
    1-propoxy-2-propanol 2.56
    1-methoxy-2-propyl acetate 2.01
    2-(2-methoxypropoxy) propanol 1.86
    mesitylene 0.19
    ε-caprolactone 3.89
    p-cymene 0.36
    epichlorohydrin 9.05
    1,1,1-trichloroethane 1.02
    2-aminoethanol 1.46
    morpholine-4-carbaldehyde 9.27
    sulfolane 13.55
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 4.58
    n-hexyl acetate 1.74
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 2.69
    sec-butyl acetate 0.84
    tert-butyl acetate 1.03
    decalin 0.06
    glycerin 1.84
    diglyme 4.63
    acrylic acid 2.46
    isopropyl myristate 0.6
    n-butyric acid 1.63
    acetyl acetate 0.87
    di(2-ethylhexyl) phthalate 1.01
    ethyl propionate 1.13
    nitromethane 4.4
    1,2-diethoxyethane 1.62
    benzonitrile 1.3
    trioctyl phosphate 0.86
    1-bromopropane 0.93
    gamma-valerolactone 12.08
    n-decanol 0.57
    triethyl phosphate 0.77
    4-methyl-2-pentanol 0.31
    propionitrile 1.21
    vinylene carbonate 2.2
    1,1,2-trichlorotrifluoroethane 7.39
    DMS 1.79
    cumene 0.32
    2-octanol 0.77
    2-hexanone 2.17
    octyl acetate 0.94
    limonene 0.38
    1,2-dimethoxyethane 5.3
    ethyl orthosilicate 0.75
    tributyl phosphate 0.74
    diacetone alcohol 1.95
    N,N-dimethylaniline 0.95
    acrylonitrile 1.97
    aniline 1.21
    1,3-propanediol 1.92
    bromobenzene 0.66
    dibromomethane 1.44
    1,1,2,2-tetrachloroethane 2.99
    2-methyl-cyclohexyl acetate 1.2
    tetrabutyl urea 1.4
    diisobutyl methanol 0.29
    2-phenylethanol 1.81
    styrene 0.49
    dioctyl adipate 1.01
    dimethyl sulfate 3.58
    ethyl butyrate 0.95
    methyl lactate 1.77
    butyl lactate 1.86
    diethyl carbonate 0.65
    propanediol butyl ether 2.28
    triethyl orthoformate 1.05
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 2.16
    morpholine 6.43
    tert-butylamine 0.35
    n-dodecanol 0.37
    dimethoxymethane 4.48
    ethylene carbonate 1.81
    cyrene 3.9
    2-ethoxyethyl acetate 3.06
    2-ethylhexyl acetate 1.09
    1,2,4-trichlorobenzene 1.24
    4-methylpyridine 3.0
    dibutyl ether 0.7
    2,6-dimethyl-4-heptanol 0.29
    DEF 2.74
    dimethyl isosorbide 4.03
    tetrachloroethylene 2.4
    eugenol 2.49
    triacetin 1.65
    span 80 1.99
    1,4-butanediol 1.1
    1,1-dichloroethane 1.08
    2-methyl-1-pentanol 0.96
    methyl formate 2.78
    2-methyl-1-butanol 0.82
    n-decane 0.08
    butyronitrile 0.96
    3,7-dimethyl-1-octanol 0.47
    1-chlorooctane 0.39
    1-chlorotetradecane 0.14
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.03
    cyclopentanol 1.87
    tetrahydropyran 2.89
    tert-amyl methyl ether 0.81
    2,5,8-trioxanonane 3.11
    1-hexene 0.32
    2-isopropoxyethanol 2.37
    2,2,2-trifluoroethanol 1.47
    methyl butyrate 1.56

    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