Garcinone C

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  • Identifiers

    CAS number
    76996-27-5

    Molecular formula
    C23H26O7

    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.52%
    Odorless 38.91%
    Spicy 32.04%
    Woody 31.56%
    Fruity 27.9%
    Dry 26.61%
    Burnt 25.38%
    Smoky 24.54%
    Balsamic 23.4%
    Animal 22.65%

     

    Flavor
    Bitter 81.14%
    Odorless 23.24%
    Bland 22.68%
    Mild 21.73%
    Cedarleaf 20.4%
    Parsley 20.15%
    Lovage 19.4%
    Heather 19.34%
    Broom 19.27%
    Sweet-like 19.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    10.99 (weak base)

    Molecular weight
    414.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2083°C

    Melting point expt.

    • 216 - 218 °C

    Flash point

    • 270.04 ˚C est.

  • Synonyms

    • Garcinone C
    • 76996-27-5
    • 1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
    • RefChem:142674
    • 1,3,6,7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
    • CHEMBL4440642
    • Garcinone-C
    • GarcinoneC
    • Garcinone C (Standard)
    • orb1297366
    • SCHEMBL28181857
    • HY-N6954R
    • DTXSID60657670
    • CHEBI:175308
    • HY-N6954
    • BDBM50509699
    • MFCD28161511
    • AKOS032948214
    • EBC-521372
    • DA-53511
    • MS-27173
    • CS-0027744
    • F82148
    • 1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methyl-butyl)-2-(3-methylbut-2-enyl)xanthen-9-one
    • 76996-27-5

  • Applications

    Garcinone C (CAS 76996-27-5) is a natural xanthone derivative isolated from Garcinia species and is mainly evaluated for research and development applications. It is commonly regarded as a chemical building block or intermediate for the synthesis of other xanthone derivatives in pharmaceutical and agrochemical research. It is also used as a reference standard or analytical calibrant for methods that quantify garcinone C in plant extracts and formulated products. In cosmetics and personal care, it may be explored as a polyphenolic antioxidant component or stabilizer in formulations, subject to regulatory limits. In polymer or coating applications, it is studied as an antioxidant or UV-stabilizing additive for specialty materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.02
    methanol 104.47
    isopropanol 33.67
    water 0.07
    ethyl acetate 18.86
    n-propanol 50.29
    acetone 38.45
    n-butanol 30.99
    acetonitrile 14.84
    DMF 357.21
    toluene 2.11
    isobutanol 24.43
    1,4-dioxane 41.79
    methyl acetate 33.11
    THF 154.62
    2-butanone 43.99
    n-pentanol 19.6
    sec-butanol 30.48
    n-hexane 0.14
    ethylene glycol 51.57
    NMP 320.13
    cyclohexane 0.22
    DMSO 500.54
    n-butyl acetate 15.65
    n-octanol 5.09
    chloroform 15.95
    n-propyl acetate 18.25
    acetic acid 172.4
    dichloromethane 13.61
    cyclohexanone 56.48
    propylene glycol 135.11
    isopropyl acetate 12.2
    DMAc 341.99
    2-ethoxyethanol 112.36
    isopentanol 18.5
    n-heptane 0.13
    ethyl formate 25.24
    1,2-dichloroethane 11.29
    n-hexanol 11.69
    2-methoxyethanol 328.01
    isobutyl acetate 9.73
    tetrachloromethane 1.52
    n-pentyl acetate 11.8
    transcutol 197.75
    n-heptanol 8.05
    ethylbenzene 1.24
    MIBK 13.48
    2-propoxyethanol 116.78
    tert-butanol 24.62
    MTBE 6.65
    2-butoxyethanol 50.43
    propionic acid 67.78
    o-xylene 1.59
    formic acid 115.75
    diethyl ether 6.42
    m-xylene 1.37
    p-xylene 1.73
    chlorobenzene 3.07
    dimethyl carbonate 38.42
    n-octane 0.07
    formamide 148.2
    cyclopentanone 115.53
    2-pentanone 26.21
    anisole 10.05
    cyclopentyl methyl ether 20.79
    gamma-butyrolactone 161.95
    1-methoxy-2-propanol 230.93
    pyridine 34.39
    3-pentanone 15.3
    furfural 100.69
    n-dodecane 0.08
    diethylene glycol 141.36
    diisopropyl ether 1.23
    tert-amyl alcohol 25.1
    acetylacetone 39.68
    n-hexadecane 0.09
    acetophenone 19.5
    methyl propionate 40.09
    isopentyl acetate 14.05
    trichloroethylene 33.74
    n-nonanol 5.34
    cyclohexanol 17.98
    benzyl alcohol 22.46
    2-ethylhexanol 5.17
    isooctanol 6.47
    dipropyl ether 5.0
    1,2-dichlorobenzene 3.61
    ethyl lactate 37.51
    propylene carbonate 58.46
    n-methylformamide 164.2
    2-pentanol 13.38
    n-pentane 0.15
    1-propoxy-2-propanol 63.46
    1-methoxy-2-propyl acetate 41.56
    2-(2-methoxypropoxy) propanol 52.19
    mesitylene 0.66
    ε-caprolactone 66.06
    p-cymene 1.2
    epichlorohydrin 135.85
    1,1,1-trichloroethane 5.87
    2-aminoethanol 104.57
    morpholine-4-carbaldehyde 260.79
    sulfolane 312.4
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 39.05
    n-hexyl acetate 12.89
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 72.54
    sec-butyl acetate 10.33
    tert-butyl acetate 15.23
    decalin 0.15
    glycerin 255.77
    diglyme 106.42
    acrylic acid 82.29
    isopropyl myristate 4.22
    n-butyric acid 61.65
    acetyl acetate 12.99
    di(2-ethylhexyl) phthalate 10.35
    ethyl propionate 16.35
    nitromethane 190.26
    1,2-diethoxyethane 17.83
    benzonitrile 10.9
    trioctyl phosphate 7.39
    1-bromopropane 3.81
    gamma-valerolactone 253.7
    n-decanol 3.74
    triethyl phosphate 9.71
    4-methyl-2-pentanol 6.52
    propionitrile 15.61
    vinylene carbonate 50.12
    1,1,2-trichlorotrifluoroethane 187.79
    DMS 24.1
    cumene 0.93
    2-octanol 3.99
    2-hexanone 18.83
    octyl acetate 7.35
    limonene 1.76
    1,2-dimethoxyethane 99.17
    ethyl orthosilicate 8.19
    tributyl phosphate 9.06
    diacetone alcohol 65.37
    N,N-dimethylaniline 8.34
    acrylonitrile 29.6
    aniline 13.27
    1,3-propanediol 125.87
    bromobenzene 1.86
    dibromomethane 5.76
    1,1,2,2-tetrachloroethane 32.12
    2-methyl-cyclohexyl acetate 12.69
    tetrabutyl urea 13.63
    diisobutyl methanol 3.06
    2-phenylethanol 18.0
    styrene 1.49
    dioctyl adipate 11.37
    dimethyl sulfate 92.27
    ethyl butyrate 12.03
    methyl lactate 108.0
    butyl lactate 30.04
    diethyl carbonate 8.99
    propanediol butyl ether 64.48
    triethyl orthoformate 11.58
    p-tert-butyltoluene 1.22
    methyl 4-tert-butylbenzoate 25.26
    morpholine 108.04
    tert-butylamine 5.33
    n-dodecanol 2.45
    dimethoxymethane 126.18
    ethylene carbonate 36.74
    cyrene 76.77
    2-ethoxyethyl acetate 26.19
    2-ethylhexyl acetate 9.18
    1,2,4-trichlorobenzene 7.87
    4-methylpyridine 25.96
    dibutyl ether 2.94
    2,6-dimethyl-4-heptanol 3.06
    DEF 52.23
    dimethyl isosorbide 79.34
    tetrachloroethylene 14.52
    eugenol 33.9
    triacetin 29.97
    span 80 42.34
    1,4-butanediol 38.33
    1,1-dichloroethane 6.75
    2-methyl-1-pentanol 14.32
    methyl formate 96.09
    2-methyl-1-butanol 21.87
    n-decane 0.13
    butyronitrile 11.49
    3,7-dimethyl-1-octanol 5.05
    1-chlorooctane 0.85
    1-chlorotetradecane 0.37
    n-nonane 0.1
    undecane 0.1
    tert-butylcyclohexane 0.13
    cyclooctane 0.07
    cyclopentanol 36.74
    tetrahydropyran 21.38
    tert-amyl methyl ether 8.11
    2,5,8-trioxanonane 75.07
    1-hexene 0.94
    2-isopropoxyethanol 52.7
    2,2,2-trifluoroethanol 50.43
    methyl butyrate 26.49

    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