Beta-Mangostin

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  • Identifiers

    CAS number
    20931-37-7

    Molecular formula
    C25H28O6

    SMILES
    CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)C)OC)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 50.34%
    Woody 42.75%
    Phenolic 42.0%
    Fruity 37.02%
    Dry 30.36%
    Smoky 27.17%
    Burnt 26.36%
    Herbal 25.79%
    Leathery 24.0%
    Warm 22.11%

     

    Flavor
    Bitter 76.1%
    Parsley 21.04%
    Cedarleaf 19.85%
    Lovage 19.64%
    Heather 19.04%
    Broom 19.02%
    Bland 18.94%
    Eugenol 18.85%
    Genet 18.66%
    Green pepper 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    10.06 (weak base)

    Molecular weight
    424.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1173°C

    Melting point expt.

    • 175 - 176 °C

    Flash point

    • 239.67 ˚C est.

  • Synonyms

    • beta-Mangostin
    • 20931-37-7
    • 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
    • 1,6-DIHYDROXY-3,7-DIMETHOXY-2,8-BIS(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
    • DTXSID40420546
    • RefChem:119448
    • DTXCID90371392
    • b-Mangostin
    • CHEMBL261706
    • 1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one
    • 1,6-Dihydroxy-3,7-dimethoxy-2,8-diprenylxanthone
    • Mangostin,beta-
    • ??Mangostin
    • Mangostin, beta-
    • orb1297609
    • SCHEMBL3742268
    • SCHEMBL29929598
    • SCHEMBL29974819
    • CHEBI:175406
    • HY-N0941
    • BDBM50241454
    • MFCD00951751
    • 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one
    • AKOS030526115
    • CS-5295
    • EBC-526336
    • FM42766
    • AC-34157
    • DA-71437
    • MS-27465
    • 931M377
    • 1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
    • 9H-Xanthen-9-one, 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-
    • 20931-37-7

  • Applications

    Beta-Mangostin is a natural xanthone derived from Garcinia mangostana, commonly encountered in botanical extracts. In industry, it is studied for its antioxidant and antimicrobial activities, informing its use as a bioactive component in cosmetics and personal-care formulations. It is also investigated as a lead compound in pharmaceutical and biomedical research for natural product–based discovery. Additionally, Beta-Mangostin is evaluated for potential use in food-processing contexts as a natural antioxidant and preservative in extract systems. Its antimicrobial properties are being explored for crop protection and cleaning/disinfection formulations, subject to regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.84
    methanol 9.12
    isopropanol 8.54
    water 0.02
    ethyl acetate 36.15
    n-propanol 12.93
    acetone 40.89
    n-butanol 9.83
    acetonitrile 16.81
    DMF 144.14
    toluene 11.65
    isobutanol 10.65
    1,4-dioxane 35.89
    methyl acetate 51.53
    THF 113.57
    2-butanone 46.25
    n-pentanol 8.53
    sec-butanol 10.75
    n-hexane 0.5
    ethylene glycol 5.75
    NMP 297.9
    cyclohexane 0.78
    DMSO 100.48
    n-butyl acetate 21.31
    n-octanol 2.65
    chloroform 178.85
    n-propyl acetate 22.85
    acetic acid 94.36
    dichloromethane 156.93
    cyclohexanone 73.14
    propylene glycol 11.01
    isopropyl acetate 21.77
    DMAc 235.06
    2-ethoxyethanol 27.37
    isopentanol 9.73
    n-heptane 0.38
    ethyl formate 21.22
    1,2-dichloroethane 73.92
    n-hexanol 7.16
    2-methoxyethanol 48.75
    isobutyl acetate 15.3
    tetrachloromethane 12.3
    n-pentyl acetate 15.04
    transcutol 74.32
    n-heptanol 4.52
    ethylbenzene 5.41
    MIBK 18.32
    2-propoxyethanol 40.94
    tert-butanol 11.86
    MTBE 10.47
    2-butoxyethanol 22.63
    propionic acid 46.72
    o-xylene 8.23
    formic acid 26.21
    diethyl ether 10.35
    m-xylene 7.59
    p-xylene 8.2
    chlorobenzene 25.89
    dimethyl carbonate 60.72
    n-octane 0.16
    formamide 41.75
    cyclopentanone 123.87
    2-pentanone 30.36
    anisole 16.6
    cyclopentyl methyl ether 34.76
    gamma-butyrolactone 188.16
    1-methoxy-2-propanol 42.59
    pyridine 60.66
    3-pentanone 30.73
    furfural 110.61
    n-dodecane 0.15
    diethylene glycol 33.8
    diisopropyl ether 3.11
    tert-amyl alcohol 13.27
    acetylacetone 53.87
    n-hexadecane 0.18
    acetophenone 30.16
    methyl propionate 58.3
    isopentyl acetate 20.58
    trichloroethylene 249.11
    n-nonanol 3.15
    cyclohexanol 15.4
    benzyl alcohol 21.02
    2-ethylhexanol 5.4
    isooctanol 4.4
    dipropyl ether 8.11
    1,2-dichlorobenzene 29.99
    ethyl lactate 21.94
    propylene carbonate 90.04
    n-methylformamide 52.23
    2-pentanol 7.04
    n-pentane 0.47
    1-propoxy-2-propanol 27.7
    1-methoxy-2-propyl acetate 46.21
    2-(2-methoxypropoxy) propanol 30.62
    mesitylene 3.7
    ε-caprolactone 78.79
    p-cymene 4.55
    epichlorohydrin 192.19
    1,1,1-trichloroethane 63.76
    2-aminoethanol 11.69
    morpholine-4-carbaldehyde 166.0
    sulfolane 255.56
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 51.32
    n-hexyl acetate 13.62
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 29.75
    sec-butyl acetate 16.38
    tert-butyl acetate 22.89
    decalin 0.77
    glycerin 26.29
    diglyme 61.82
    acrylic acid 63.28
    isopropyl myristate 5.36
    n-butyric acid 44.88
    acetyl acetate 38.63
    di(2-ethylhexyl) phthalate 12.07
    ethyl propionate 24.98
    nitromethane 158.35
    1,2-diethoxyethane 16.57
    benzonitrile 21.08
    trioctyl phosphate 6.72
    1-bromopropane 21.14
    gamma-valerolactone 174.78
    n-decanol 2.25
    triethyl phosphate 16.37
    4-methyl-2-pentanol 4.94
    propionitrile 17.69
    vinylene carbonate 82.95
    1,1,2-trichlorotrifluoroethane 201.2
    DMS 41.99
    cumene 3.96
    2-octanol 2.53
    2-hexanone 19.09
    octyl acetate 7.72
    limonene 5.99
    1,2-dimethoxyethane 40.62
    ethyl orthosilicate 13.83
    tributyl phosphate 9.26
    diacetone alcohol 36.66
    N,N-dimethylaniline 14.44
    acrylonitrile 32.42
    aniline 26.82
    1,3-propanediol 17.36
    bromobenzene 25.14
    dibromomethane 70.22
    1,1,2,2-tetrachloroethane 169.19
    2-methyl-cyclohexyl acetate 20.37
    tetrabutyl urea 13.53
    diisobutyl methanol 3.77
    2-phenylethanol 20.09
    styrene 6.88
    dioctyl adipate 14.17
    dimethyl sulfate 130.31
    ethyl butyrate 18.03
    methyl lactate 50.63
    butyl lactate 19.55
    diethyl carbonate 16.46
    propanediol butyl ether 17.38
    triethyl orthoformate 16.14
    p-tert-butyltoluene 4.18
    methyl 4-tert-butylbenzoate 30.29
    morpholine 60.43
    tert-butylamine 4.92
    n-dodecanol 1.66
    dimethoxymethane 65.64
    ethylene carbonate 61.25
    cyrene 51.33
    2-ethoxyethyl acetate 34.84
    2-ethylhexyl acetate 16.83
    1,2,4-trichlorobenzene 51.42
    4-methylpyridine 53.72
    dibutyl ether 3.65
    2,6-dimethyl-4-heptanol 3.77
    DEF 58.04
    dimethyl isosorbide 70.4
    tetrachloroethylene 89.69
    eugenol 28.77
    triacetin 34.08
    span 80 23.02
    1,4-butanediol 6.8
    1,1-dichloroethane 56.31
    2-methyl-1-pentanol 9.71
    methyl formate 46.24
    2-methyl-1-butanol 11.86
    n-decane 0.25
    butyronitrile 13.74
    3,7-dimethyl-1-octanol 3.75
    1-chlorooctane 1.72
    1-chlorotetradecane 0.77
    n-nonane 0.2
    undecane 0.19
    tert-butylcyclohexane 0.6
    cyclooctane 0.27
    cyclopentanol 25.63
    tetrahydropyran 27.22
    tert-amyl methyl ether 11.82
    2,5,8-trioxanonane 43.62
    1-hexene 2.65
    2-isopropoxyethanol 21.3
    2,2,2-trifluoroethanol 47.15
    methyl butyrate 31.79

    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