Gambogic Acid

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  • Identifiers

    CAS number
    2752-65-0

    Molecular formula
    C38H44O8

    SMILES
    CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 38.27%
    Woody 36.52%
    Floral 35.51%
    Fresh 34.17%
    Sweet 32.89%
    Herbal 30.49%
    Spicy 28.95%
    Mint 27.22%
    Odorless 25.38%
    Citrus 24.67%

     

    Flavor
    Bitter 85.02%
    Cedarleaf 20.28%
    Lovage 19.54%
    Parsley 19.01%
    Heather 18.61%
    Basil 18.59%
    Bland 18.57%
    Broom 18.25%
    Ripe apricot 18.2%
    Genet 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    8.84 (weak base)

    Molecular weight
    628.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1588°C

    Flash point

    • 223.06 ˚C est.

  • Synonyms

    • gambogic acid
    • 2752-65-0
    • (-)-Gambogic Acid
    • R-gambogic acid
    • beta-Guttiferin
    • DTXSID101029723
    • 8N585K83U2
    • (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
    • (Z)-4-((1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo(15.4.1.02,15.02,19.04,13.06,11)docosa-4(13),5,9,11,15-pentaen-19-yl)-2-methylbut-2-enoic acid
    • 1,6-dihydroxy-3,5-dimethoxy-xanthen-9-one
    • RefChem:142249
    • DTXCID101514922
    • 631-063-8
    • MFCD16878985
    • Gambogic-acid
    • Cambogic acid
    • B''-Guttiferin
    • (Z)-4-((1S,3aR,5S,11R,14aS)-8-hydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7-tetrahydro-11H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
    • C38H44O8
    • .beta.-Guttiferin
    • GAMBOGICACID
    • UNII-8N585K83U2
    • 2(R)-gambogic acid
    • Gambogic Acid (Standard)
    • GAMBOGIC ACID [MI]
    • CHEMBL555017
    • CHEMBL5305342
    • SCHEMBL16160279
    • SCHEMBL29351509
    • HY-N0087R
    • GLXC-02792
    • HY-N0087
    • BDBM50366237
    • s2448
    • AKOS024463359
    • CCG-270284
    • CS-1456
    • EBC-369046
    • FG42759
    • AC-34804
    • BP-22199
    • Gambogic acid, >=95% (HPLC), powder
    • SY074643
    • H10129
    • Q5519727
    • (2Z)-2-METHYL-4-((1R,3AS,5S,11R,14AS)-3A,4,5,7-TETRAHYDRO-8-HYDROXY-3,3,11-TRIMETHYL-13-(3-METHYL-2-BUTEN-1-YL)-11-(4-METHYL-3-PENTEN-1-YL)-7,15-DIOXO-1,5-METHANO-1H,3H,11H-FURO(3,4-G)PYRANO(3,2-B)XANTHEN-1-YL)-2-BUTENOIC ACID
    • (Z)-4-((1S,3aR,5S,11R,14aS)-8-hydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-2,3a,4,5,7,11-hexahydro-1H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a-yl)-2-methylbut-2-enoic acid
    • (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methyl-but-2-enoic acid
    • 1,5-Methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthene-1-crotonic acid, 3a,4,5,7-tetrahydro-8-hydroxy-alpha,3,3,11-tetramethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-, (Z)-
    • 2-BUTENOIC ACID, 2-METHYL-4-((1R,3AS,5S,11R,14AS)-3A,4,5,7-TETRAHYDRO-8-HYDROXY-3,3,11-TRIMETHYL-13-(3-METHYL-2-BUTEN-1-YL)-11-(4-METHYL-3-PENTEN-1-YL)-7,15-DIOXO-1,5-METHANO-1H,3H,11H-FURO(3,4-G)PYRANO(3,2-B)XANTHEN-1-YL)-, (2Z)-
    • 2752-65-0

  • Applications

    Gambogic acid, CAS 2752-65-0, is a natural pigment derived from gamboge resin and is primarily used as a colorant in coatings, paints, and printing inks due to its distinctive yellow-to-orange hue. It is also actively studied as a potential lead compound in pharmaceutical research, serving as a reference material and precursor in drug development and structure-activity investigations. Additionally, its chemical properties make it of interest as an intermediate in organic synthesis and as an analytical reference substance in laboratory work, with applications in polymer and materials research where pigment additives are relevant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.58
    methanol 121.33
    isopropanol 66.41
    water 0.14
    ethyl acetate 187.01
    n-propanol 116.85
    acetone 182.49
    n-butanol 91.25
    acetonitrile 79.64
    DMF 595.42
    toluene 61.01
    isobutanol 70.37
    1,4-dioxane 174.63
    methyl acetate 188.56
    THF 455.03
    2-butanone 202.61
    n-pentanol 62.12
    sec-butanol 73.02
    n-hexane 2.14
    ethylene glycol 31.17
    NMP 906.41
    cyclohexane 3.3
    DMSO 326.08
    n-butyl acetate 71.8
    n-octanol 18.31
    chloroform 567.16
    n-propyl acetate 90.7
    acetic acid 630.76
    dichloromethane 395.59
    cyclohexanone 286.86
    propylene glycol 68.25
    isopropyl acetate 98.29
    DMAc 665.95
    2-ethoxyethanol 156.08
    isopentanol 56.65
    n-heptane 1.4
    ethyl formate 134.0
    1,2-dichloroethane 195.37
    n-hexanol 40.69
    2-methoxyethanol 287.62
    isobutyl acetate 53.85
    tetrachloromethane 57.62
    n-pentyl acetate 68.21
    transcutol 196.75
    n-heptanol 24.28
    ethylbenzene 21.78
    MIBK 75.21
    2-propoxyethanol 203.85
    tert-butanol 53.04
    MTBE 43.09
    2-butoxyethanol 102.59
    propionic acid 242.79
    o-xylene 32.65
    formic acid 203.04
    diethyl ether 62.89
    m-xylene 31.96
    p-xylene 25.98
    chlorobenzene 99.03
    dimethyl carbonate 210.56
    n-octane 0.72
    formamide 204.84
    cyclopentanone 454.15
    2-pentanone 156.64
    anisole 60.12
    cyclopentyl methyl ether 141.33
    gamma-butyrolactone 642.79
    1-methoxy-2-propanol 260.77
    pyridine 231.36
    3-pentanone 132.7
    furfural 369.31
    n-dodecane 0.67
    diethylene glycol 127.52
    diisopropyl ether 13.6
    tert-amyl alcohol 55.25
    acetylacetone 196.96
    n-hexadecane 0.78
    acetophenone 90.25
    methyl propionate 249.12
    isopentyl acetate 57.13
    trichloroethylene 621.53
    n-nonanol 19.17
    cyclohexanol 74.5
    benzyl alcohol 88.17
    2-ethylhexanol 19.82
    isooctanol 19.14
    dipropyl ether 27.82
    1,2-dichlorobenzene 93.6
    ethyl lactate 87.4
    propylene carbonate 318.62
    n-methylformamide 322.34
    2-pentanol 52.58
    n-pentane 2.89
    1-propoxy-2-propanol 109.76
    1-methoxy-2-propyl acetate 131.18
    2-(2-methoxypropoxy) propanol 81.32
    mesitylene 14.39
    ε-caprolactone 317.75
    p-cymene 11.19
    epichlorohydrin 570.5
    1,1,1-trichloroethane 199.85
    2-aminoethanol 82.98
    morpholine-4-carbaldehyde 607.73
    sulfolane 733.56
    2,2,4-trimethylpentane 1.88
    2-methyltetrahydrofuran 202.7
    n-hexyl acetate 70.74
    isooctane 1.11
    2-(2-butoxyethoxy)ethanol 99.86
    sec-butyl acetate 57.87
    tert-butyl acetate 78.04
    decalin 2.14
    glycerin 118.1
    diglyme 159.0
    acrylic acid 281.73
    isopropyl myristate 21.23
    n-butyric acid 291.88
    acetyl acetate 155.08
    di(2-ethylhexyl) phthalate 39.51
    ethyl propionate 89.85
    nitromethane 613.97
    1,2-diethoxyethane 51.42
    benzonitrile 77.08
    trioctyl phosphate 26.15
    1-bromopropane 94.68
    gamma-valerolactone 747.71
    n-decanol 12.19
    triethyl phosphate 37.02
    4-methyl-2-pentanol 26.52
    propionitrile 91.51
    vinylene carbonate 327.02
    1,1,2-trichlorotrifluoroethane 490.69
    DMS 93.71
    cumene 13.2
    2-octanol 15.35
    2-hexanone 83.1
    octyl acetate 35.25
    limonene 15.73
    1,2-dimethoxyethane 154.84
    ethyl orthosilicate 31.68
    tributyl phosphate 30.37
    diacetone alcohol 130.73
    N,N-dimethylaniline 48.04
    acrylonitrile 152.96
    aniline 101.09
    1,3-propanediol 121.52
    bromobenzene 93.36
    dibromomethane 227.04
    1,1,2,2-tetrachloroethane 404.36
    2-methyl-cyclohexyl acetate 52.14
    tetrabutyl urea 41.6
    diisobutyl methanol 10.48
    2-phenylethanol 73.61
    styrene 28.26
    dioctyl adipate 43.8
    dimethyl sulfate 343.25
    ethyl butyrate 54.56
    methyl lactate 214.95
    butyl lactate 79.3
    diethyl carbonate 40.02
    propanediol butyl ether 88.5
    triethyl orthoformate 43.55
    p-tert-butyltoluene 10.74
    methyl 4-tert-butylbenzoate 82.96
    morpholine 283.65
    tert-butylamine 20.21
    n-dodecanol 7.92
    dimethoxymethane 320.76
    ethylene carbonate 242.37
    cyrene 161.72
    2-ethoxyethyl acetate 116.45
    2-ethylhexyl acetate 45.47
    1,2,4-trichlorobenzene 145.68
    4-methylpyridine 205.32
    dibutyl ether 15.73
    2,6-dimethyl-4-heptanol 10.48
    DEF 237.73
    dimethyl isosorbide 152.73
    tetrachloroethylene 245.04
    eugenol 77.46
    triacetin 109.48
    span 80 79.21
    1,4-butanediol 53.37
    1,1-dichloroethane 213.83
    2-methyl-1-pentanol 45.95
    methyl formate 242.85
    2-methyl-1-butanol 69.72
    n-decane 1.25
    butyronitrile 73.81
    3,7-dimethyl-1-octanol 17.61
    1-chlorooctane 8.79
    1-chlorotetradecane 3.11
    n-nonane 1.02
    undecane 0.87
    tert-butylcyclohexane 1.89
    cyclooctane 1.26
    cyclopentanol 127.76
    tetrahydropyran 141.44
    tert-amyl methyl ether 46.66
    2,5,8-trioxanonane 99.27
    1-hexene 12.62
    2-isopropoxyethanol 93.75
    2,2,2-trifluoroethanol 208.32
    methyl butyrate 113.66

    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