Garcinone D

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  • Identifiers

    CAS number
    107390-08-9

    Molecular formula
    C24H28O7

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 40.15%
    Woody 38.42%
    Spicy 37.16%
    Fruity 31.62%
    Odorless 30.76%
    Dry 29.21%
    Balsamic 25.89%
    Smoky 25.05%
    Sweet 24.6%
    Animal 23.96%

     

    Flavor
    Bitter 76.26%
    Bland 22.68%
    Odorless 21.21%
    Parsley 20.7%
    Cedarleaf 20.34%
    Mild 20.0%
    Heather 19.44%
    Lovage 19.38%
    Broom 19.35%
    Eugenol 19.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    10.92 (weak base)

    Molecular weight
    428.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1741°C

    Melting point expt.

    • 202 - 204 °C

    Flash point

    • 261.73 ˚C est.

  • Synonyms

    • GARCINONE D
    • 107390-08-9
    • 1,3,6-TRIHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-7-METHOXY-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
    • 1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
    • DTXSID00420547
    • RefChem:142675
    • DTXCID50371393
    • CHEMBL462879
    • 1,3,6-trihydroxy-8-(3-hydroxy-3-methyl-butyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
    • Garcinone-D
    • MFCD11111286
    • Garcinone D (Standard)
    • orb1297365
    • SCHEMBL28609064
    • SCHEMBL30034802
    • HY-N6953R
    • CHEBI:230009
    • GLXC-06913
    • HY-N6953
    • BDBM50250510
    • AKOS037514656
    • EBC-521373
    • DA-53512
    • FG145238
    • MS-27582
    • CS-0027732
    • F82147
    • 9H-Xanthen-9-one, 1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methyl-2-butenyl)-
    • 107390-08-9

  • Applications

    Garcinone D (CAS 107390-08-9) is a xanthone derivative whose typical applications are found in pharmaceutical research as a synthetic intermediate and scaffold for developing xanthone-based compounds; in cosmetics and personal care, it may be evaluated as a bioactive ingredient with potential antioxidant or antimicrobial properties in research formulations; in analytical chemistry, it can serve as a reference standard or calibration material for xanthone analyses; in industrial manufacturing, it functions as an intermediate building block for the synthesis of functionalized xanthone derivatives and related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.49
    methanol 80.75
    isopropanol 24.71
    water 0.08
    ethyl acetate 22.13
    n-propanol 37.71
    acetone 41.16
    n-butanol 23.57
    acetonitrile 17.96
    DMF 356.64
    toluene 2.6
    isobutanol 21.86
    1,4-dioxane 34.97
    methyl acetate 37.56
    THF 113.56
    2-butanone 41.03
    n-pentanol 16.4
    sec-butanol 23.64
    n-hexane 0.17
    ethylene glycol 41.98
    NMP 383.14
    cyclohexane 0.24
    DMSO 349.21
    n-butyl acetate 16.95
    n-octanol 4.82
    chloroform 50.34
    n-propyl acetate 19.85
    acetic acid 237.04
    dichloromethane 42.82
    cyclohexanone 60.41
    propylene glycol 88.42
    isopropyl acetate 13.44
    DMAc 364.73
    2-ethoxyethanol 86.03
    isopentanol 16.66
    n-heptane 0.16
    ethyl formate 28.8
    1,2-dichloroethane 23.78
    n-hexanol 10.41
    2-methoxyethanol 214.66
    isobutyl acetate 11.95
    tetrachloromethane 3.53
    n-pentyl acetate 13.73
    transcutol 188.24
    n-heptanol 7.31
    ethylbenzene 1.49
    MIBK 14.29
    2-propoxyethanol 96.72
    tert-butanol 20.45
    MTBE 7.01
    2-butoxyethanol 46.04
    propionic acid 78.99
    o-xylene 2.05
    formic acid 135.07
    diethyl ether 6.4
    m-xylene 1.85
    p-xylene 2.15
    chlorobenzene 5.94
    dimethyl carbonate 53.97
    n-octane 0.08
    formamide 145.71
    cyclopentanone 114.57
    2-pentanone 24.92
    anisole 10.36
    cyclopentyl methyl ether 19.85
    gamma-butyrolactone 185.98
    1-methoxy-2-propanol 168.21
    pyridine 35.46
    3-pentanone 18.13
    furfural 114.06
    n-dodecane 0.09
    diethylene glycol 118.52
    diisopropyl ether 1.38
    tert-amyl alcohol 20.89
    acetylacetone 41.86
    n-hexadecane 0.1
    acetophenone 22.5
    methyl propionate 48.57
    isopentyl acetate 15.25
    trichloroethylene 85.36
    n-nonanol 5.1
    cyclohexanol 17.19
    benzyl alcohol 22.11
    2-ethylhexanol 5.31
    isooctanol 6.11
    dipropyl ether 5.11
    1,2-dichlorobenzene 8.01
    ethyl lactate 37.7
    propylene carbonate 78.58
    n-methylformamide 154.1
    2-pentanol 11.42
    n-pentane 0.18
    1-propoxy-2-propanol 54.87
    1-methoxy-2-propyl acetate 43.83
    2-(2-methoxypropoxy) propanol 52.96
    mesitylene 0.94
    ε-caprolactone 77.21
    p-cymene 1.59
    epichlorohydrin 157.39
    1,1,1-trichloroethane 14.74
    2-aminoethanol 74.38
    morpholine-4-carbaldehyde 266.09
    sulfolane 323.76
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 34.62
    n-hexyl acetate 15.0
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 63.66
    sec-butyl acetate 11.29
    tert-butyl acetate 15.35
    decalin 0.21
    glycerin 182.9
    diglyme 101.44
    acrylic acid 110.11
    isopropyl myristate 4.76
    n-butyric acid 69.1
    acetyl acetate 19.21
    di(2-ethylhexyl) phthalate 12.54
    ethyl propionate 18.74
    nitromethane 255.88
    1,2-diethoxyethane 17.64
    benzonitrile 14.28
    trioctyl phosphate 8.33
    1-bromopropane 6.35
    gamma-valerolactone 248.65
    n-decanol 3.4
    triethyl phosphate 12.66
    4-methyl-2-pentanol 6.16
    propionitrile 17.86
    vinylene carbonate 73.5
    1,1,2-trichlorotrifluoroethane 255.3
    DMS 34.87
    cumene 1.24
    2-octanol 3.68
    2-hexanone 18.75
    octyl acetate 8.29
    limonene 2.26
    1,2-dimethoxyethane 75.22
    ethyl orthosilicate 10.43
    tributyl phosphate 10.66
    diacetone alcohol 54.02
    N,N-dimethylaniline 9.47
    acrylonitrile 35.94
    aniline 14.76
    1,3-propanediol 84.25
    bromobenzene 4.05
    dibromomethane 16.52
    1,1,2,2-tetrachloroethane 68.62
    2-methyl-cyclohexyl acetate 15.02
    tetrabutyl urea 15.46
    diisobutyl methanol 3.11
    2-phenylethanol 18.59
    styrene 1.79
    dioctyl adipate 13.64
    dimethyl sulfate 131.65
    ethyl butyrate 13.83
    methyl lactate 107.37
    butyl lactate 30.95
    diethyl carbonate 11.31
    propanediol butyl ether 54.4
    triethyl orthoformate 13.49
    p-tert-butyltoluene 1.6
    methyl 4-tert-butylbenzoate 30.75
    morpholine 83.29
    tert-butylamine 5.28
    n-dodecanol 2.27
    dimethoxymethane 117.63
    ethylene carbonate 52.16
    cyrene 77.94
    2-ethoxyethyl acetate 32.35
    2-ethylhexyl acetate 10.75
    1,2,4-trichlorobenzene 16.61
    4-methylpyridine 29.37
    dibutyl ether 3.11
    2,6-dimethyl-4-heptanol 3.11
    DEF 60.26
    dimethyl isosorbide 83.94
    tetrachloroethylene 33.54
    eugenol 37.02
    triacetin 39.72
    span 80 41.22
    1,4-butanediol 31.06
    1,1-dichloroethane 15.71
    2-methyl-1-pentanol 13.18
    methyl formate 102.29
    2-methyl-1-butanol 20.67
    n-decane 0.15
    butyronitrile 12.84
    3,7-dimethyl-1-octanol 5.08
    1-chlorooctane 1.11
    1-chlorotetradecane 0.45
    n-nonane 0.12
    undecane 0.11
    tert-butylcyclohexane 0.18
    cyclooctane 0.08
    cyclopentanol 31.6
    tetrahydropyran 17.79
    tert-amyl methyl ether 8.38
    2,5,8-trioxanonane 69.64
    1-hexene 1.02
    2-isopropoxyethanol 44.86
    2,2,2-trifluoroethanol 82.95
    methyl butyrate 28.83

    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