Gamma-mangostin

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  • Identifiers

    CAS number
    31271-07-5

    Molecular formula
    C23H24O6

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 46.8%
    Spicy 39.16%
    Odorless 31.68%
    Woody 31.46%
    Burnt 30.13%
    Fruity 28.87%
    Smoky 26.89%
    Dry 25.91%
    Medicinal 22.17%
    Animal 20.67%

     

    Flavor
    Bitter 85.65%
    Cedarleaf 20.19%
    Parsley 19.99%
    Lovage 19.62%
    Odorless 19.08%
    Nitrile 18.96%
    Broom 18.85%
    Heather 18.85%
    Eugenol 18.74%
    Thymol 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    10.53 (weak base)

    Molecular weight
    396.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1522°C

    Melting point expt.

    • 207 °C

    Flash point

    • 259.17 ˚C est.

  • Synonyms

    • gamma-Mangostin
    • 31271-07-5
    • 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
    • 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
    • G7HS6P8ZEC
    • CHEBI:67548
    • DTXSID50185194
    • 1,3,6,7-Tetrahydroxy-2,5-bis(3-methyl-2-butenyl)-9H-xanthen-9-one
    • RefChem:36809
    • DTXCID60107685
    • Normangostin
    • MFCD00951752
    • CHEMBL260553
    • gamma- Mangostin
    • 9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-butenyl)-
    • r-mangostin
    • g-Mangostin
    • |A- Mangostin
    • UNII-G7HS6P8ZEC
    • Gamma-Mangostin (Standard)
    • orb1302309
    • SCHEMBL3753526
    • SCHEMBL29460081
    • SCHEMBL30634827
    • HY-N1957R
    • HY-N1957
    • gamma-Mangostin, >=98% (HPLC)
    • 2,8-Bis(3-methyl-2-butenyl)-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
    • BDBM50241453
    • PDSP1_000060
    • PDSP2_000060
    • AKOS022190352
    • EBC-469141
    • FM42691
    • 7-O-DEMETHYL-.ALPHA.-MANGOSTIN
    • AC-35173
    • MS-26679
    • CS-0018275
    • 271M075
    • Q27136016
    • 1,3,6,7-Tetrahydroxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI
    • 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one
    • 1,7-BIS(3-METHYLBUT-2-ENYL)-2,3,6,8-TETRAKIS(OXIDANYL)XANTHEN-9-ONE
    • 9H-XANTHEN-9-ONE, 1,3,6,7-TETRAHYDROXY-2,8-BIS(3-METHYL-2-BUTEN-1-YL)
    • 31271-07-5

  • Applications

    Gamma-mangostin, CAS 31271-07-5, is a natural xanthone derived from mangosteen that is studied and used as a natural antioxidant and stabilizer in cosmetic and personal care formulations; it is often evaluated as an additive to improve stability in polymers and plastics; it serves as a synthetic intermediate in pharmaceutical research and organic synthesis; and it has been evaluated for antimicrobial activity with potential applications on surfaces or in coating and ink systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.3
    methanol 14.97
    isopropanol 11.94
    water 0.02
    ethyl acetate 16.07
    n-propanol 18.19
    acetone 23.35
    n-butanol 11.72
    acetonitrile 8.92
    DMF 156.86
    toluene 4.26
    isobutanol 11.28
    1,4-dioxane 28.49
    methyl acetate 28.16
    THF 134.74
    2-butanone 35.3
    n-pentanol 9.86
    sec-butanol 14.76
    n-hexane 0.19
    ethylene glycol 11.2
    NMP 253.83
    cyclohexane 0.27
    DMSO 212.2
    n-butyl acetate 15.35
    n-octanol 2.67
    chloroform 25.66
    n-propyl acetate 15.32
    acetic acid 61.19
    dichloromethane 23.27
    cyclohexanone 47.92
    propylene glycol 33.6
    isopropyl acetate 11.85
    DMAc 237.39
    2-ethoxyethanol 40.42
    isopentanol 8.98
    n-heptane 0.19
    ethyl formate 12.36
    1,2-dichloroethane 16.68
    n-hexanol 7.67
    2-methoxyethanol 95.27
    isobutyl acetate 9.43
    tetrachloromethane 1.93
    n-pentyl acetate 10.88
    transcutol 101.54
    n-heptanol 5.14
    ethylbenzene 2.23
    MIBK 11.61
    2-propoxyethanol 56.62
    tert-butanol 13.78
    MTBE 6.46
    2-butoxyethanol 28.14
    propionic acid 37.05
    o-xylene 2.84
    formic acid 24.98
    diethyl ether 5.0
    m-xylene 2.64
    p-xylene 3.31
    chlorobenzene 6.1
    dimethyl carbonate 30.03
    n-octane 0.09
    formamide 46.42
    cyclopentanone 103.44
    2-pentanone 20.13
    anisole 10.48
    cyclopentyl methyl ether 23.7
    gamma-butyrolactone 141.73
    1-methoxy-2-propanol 83.21
    pyridine 38.66
    3-pentanone 15.67
    furfural 77.15
    n-dodecane 0.09
    diethylene glycol 52.49
    diisopropyl ether 1.46
    tert-amyl alcohol 15.13
    acetylacetone 31.13
    n-hexadecane 0.1
    acetophenone 20.61
    methyl propionate 33.18
    isopentyl acetate 14.68
    trichloroethylene 54.65
    n-nonanol 3.08
    cyclohexanol 12.53
    benzyl alcohol 16.46
    2-ethylhexanol 4.56
    isooctanol 4.47
    dipropyl ether 5.39
    1,2-dichlorobenzene 6.64
    ethyl lactate 21.19
    propylene carbonate 50.08
    n-methylformamide 54.44
    2-pentanol 7.2
    n-pentane 0.17
    1-propoxy-2-propanol 36.49
    1-methoxy-2-propyl acetate 35.76
    2-(2-methoxypropoxy) propanol 31.78
    mesitylene 1.24
    ε-caprolactone 54.44
    p-cymene 2.07
    epichlorohydrin 129.44
    1,1,1-trichloroethane 10.58
    2-aminoethanol 25.22
    morpholine-4-carbaldehyde 158.03
    sulfolane 254.27
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 40.2
    n-hexyl acetate 9.93
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 38.86
    sec-butyl acetate 10.48
    tert-butyl acetate 15.77
    decalin 0.24
    glycerin 68.2
    diglyme 63.15
    acrylic acid 44.41
    isopropyl myristate 3.86
    n-butyric acid 31.7
    acetyl acetate 13.1
    di(2-ethylhexyl) phthalate 8.64
    ethyl propionate 14.82
    nitromethane 95.47
    1,2-diethoxyethane 14.47
    benzonitrile 11.04
    trioctyl phosphate 5.47
    1-bromopropane 5.73
    gamma-valerolactone 164.93
    n-decanol 2.25
    triethyl phosphate 9.91
    4-methyl-2-pentanol 4.36
    propionitrile 11.24
    vinylene carbonate 40.9
    1,1,2-trichlorotrifluoroethane 129.83
    DMS 25.03
    cumene 1.61
    2-octanol 2.75
    2-hexanone 15.57
    octyl acetate 5.97
    limonene 2.72
    1,2-dimethoxyethane 46.63
    ethyl orthosilicate 8.59
    tributyl phosphate 6.86
    diacetone alcohol 42.47
    N,N-dimethylaniline 9.21
    acrylonitrile 20.17
    aniline 15.42
    1,3-propanediol 31.97
    bromobenzene 4.58
    dibromomethane 10.82
    1,1,2,2-tetrachloroethane 43.32
    2-methyl-cyclohexyl acetate 12.94
    tetrabutyl urea 10.47
    diisobutyl methanol 3.09
    2-phenylethanol 16.51
    styrene 2.69
    dioctyl adipate 9.8
    dimethyl sulfate 78.68
    ethyl butyrate 11.61
    methyl lactate 53.48
    butyl lactate 19.53
    diethyl carbonate 8.79
    propanediol butyl ether 28.03
    triethyl orthoformate 11.32
    p-tert-butyltoluene 2.13
    methyl 4-tert-butylbenzoate 21.9
    morpholine 64.21
    tert-butylamine 4.11
    n-dodecanol 1.59
    dimethoxymethane 62.65
    ethylene carbonate 28.98
    cyrene 51.9
    2-ethoxyethyl acetate 23.98
    2-ethylhexyl acetate 10.76
    1,2,4-trichlorobenzene 13.81
    4-methylpyridine 30.97
    dibutyl ether 2.67
    2,6-dimethyl-4-heptanol 3.09
    DEF 38.78
    dimethyl isosorbide 64.64
    tetrachloroethylene 17.98
    eugenol 24.66
    triacetin 23.32
    span 80 25.12
    1,4-butanediol 10.33
    1,1-dichloroethane 10.84
    2-methyl-1-pentanol 8.83
    methyl formate 34.24
    2-methyl-1-butanol 11.14
    n-decane 0.14
    butyronitrile 7.78
    3,7-dimethyl-1-octanol 3.58
    1-chlorooctane 0.89
    1-chlorotetradecane 0.43
    n-nonane 0.11
    undecane 0.11
    tert-butylcyclohexane 0.22
    cyclooctane 0.09
    cyclopentanol 25.72
    tetrahydropyran 19.15
    tert-amyl methyl ether 7.59
    2,5,8-trioxanonane 45.76
    1-hexene 1.21
    2-isopropoxyethanol 24.93
    2,2,2-trifluoroethanol 23.24
    methyl butyrate 21.26

    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