Mangostin

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  • Identifiers

    CAS number
    6147-11-1

    Molecular formula
    C24H26O6

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

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Spicy 45.08%
    Phenolic 44.98%
    Woody 38.29%
    Fruity 33.56%
    Dry 28.71%
    Burnt 27.62%
    Smoky 27.27%
    Odorless 24.02%
    Leathery 23.13%
    Animal 21.99%

     

    Flavor
    Bitter 80.34%
    Parsley 20.58%
    Cedarleaf 20.08%
    Lovage 19.71%
    Heather 18.98%
    Broom 18.96%
    Eugenol 18.8%
    Thymol 18.69%
    Ripe apricot 18.6%
    Genet 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    10.59 (weak base)

    Molecular weight
    410.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1246°C

    Melting point expt.

    • 180 - 181 °C

    Flash point

    • 252.15 ˚C est.

    Solubility expt.

    • Soluble in methanol

  • Synonyms

    • alpha-Mangostin
    • Mangostin
    • 6147-11-1
    • 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
    • 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
    • U6RIV93RU1
    • NSC-30552
    • 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one
    • NSC 27593
    • NSC 30552
    • NSC-27593
    • NSC 139154
    • NSC-139154
    • 7-o-methyl-4-desprenylcostatin
    • CHEBI:67547
    • DTXSID00210420
    • 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
    • Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
    • 1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone
    • alfa-mangostin
    • alpha-mangosten
    • RefChem:42098
    • 7-O-methyl-gamma-mangostin
    • DTXCID00132911
    • 448-420-7
    • Mangostine
    • Alpha-Mangostin, 95%
    • a-Mangostin
    • MFCD00135200
    • NSC27593
    • NSC30552
    • CHEMBL323197
    • 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone
    • 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone
    • TNP00140
    • 9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
    • 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
    • 1,7-bis(3-methylbut-2-enyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one
    • 3,6,8-trihydroxy-2-methoxy-1,7-bis(3-methylbut-2-enyl)xanthen-9-one
    • 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one
    • alpha-mangostin?
    • 9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
    • Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
    • .Alpha.-mangosten
    • .Alpha.-mangostin
    • Spectrum_001726
    • SpecPlus_000574
    • MANGOSTIN [MI]
    • Spectrum2_001620
    • Spectrum3_001297
    • Spectrum4_001911
    • Spectrum5_000622
    • UNII-U6RIV93RU1
    • alpha-Mangostin (Standard)
    • BSPBio_002933
    • KBioGR_002529
    • KBioSS_002206
    • BIDD:ER0576
    • DivK1c_006670
    • SCHEMBL354735
    • SPECTRUM1504015
    • SPECTRUM1505128
    • 7-o-methyl-.gamma.-mangostin
    • SPBio_001659
    • orb1307648
    • SCHEMBL29433195
    • SCHEMBL29466055
    • GTPL13469
    • HSDB 8103
    • HY-N0328R
    • KBio1_001614
    • KBio2_002206
    • KBio2_004774
    • KBio2_007342
    • KBio3_002153
    • HMS6018B19
    • HY-N0328
    • KXB04773
    • alpha-Mangostin, >=98% (HPLC)
    • BDBM50214969
    • CCG-36465
    • MSK181798
    • NSC139154
    • s3804
    • AKOS015912806
    • AC-6089
    • CS-6435
    • DS-3359
    • EBC-467051
    • FM25010
    • SDCCGMLS-0066796.P001
    • NCGC00017251-01
    • NCGC00017251-02
    • NCGC00017251-03
    • NCGC00017251-04
    • NCGC00017251-05
    • NCGC00017251-06
    • NCGC00095730-01
    • NCGC00095730-02
    • NCGC00095730-03
    • NCGC00178385-01
    • ST057241
    • DB-053898
    • M2793
    • 147M111
    • AK-693/21096021
    • F809771
    • Q909638
    • SR-05000002649
    • SR-05000002649-1
    • BRD-K11991978-001-02-6
    • BRD-K11991978-001-03-4
    • 1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one
    • 1,3,6-TRIHYDROXY-7-METHOXY-2,8-BIS-(3-METHYL-2-BUTEN-1-YL)-9H-XANTHEN-9-ONE
    • 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-
    • alpha-Mangostin1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one; Mangostine
    • 6147-11-1

  • Applications

    Mangostin (CAS 6147-11-1) is a natural xanthone that is being evaluated for multiple industrial applications. In cosmetics and personal care, it is considered an active ingredient with antioxidant properties; in pharmaceutical research, mangostin is viewed as a scaffold or intermediate for the synthesis of xanthone derivatives and for pharmacological studies; in coatings and inks, it is studied as a natural colorant for finishes and printing inks; in organic synthesis, mangostin serves as an intermediate for producing related compounds; and in agriculture, it shows potential as a bioactive agent for crop protection research. Applications and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.54
    methanol 9.36
    isopropanol 6.74
    water 0.02
    ethyl acetate 15.54
    n-propanol 10.89
    acetone 20.85
    n-butanol 7.43
    acetonitrile 9.0
    DMF 133.99
    toluene 4.36
    isobutanol 7.94
    1,4-dioxane 22.6
    methyl acetate 26.78
    THF 87.84
    2-butanone 27.71
    n-pentanol 6.81
    sec-butanol 8.59
    n-hexane 0.2
    ethylene glycol 7.38
    NMP 278.03
    cyclohexane 0.26
    DMSO 122.86
    n-butyl acetate 13.76
    n-octanol 2.07
    chloroform 56.81
    n-propyl acetate 14.44
    acetic acid 70.4
    dichloromethane 50.35
    cyclohexanone 43.9
    propylene glycol 18.81
    isopropyl acetate 10.75
    DMAc 205.15
    2-ethoxyethanol 29.23
    isopentanol 6.69
    n-heptane 0.19
    ethyl formate 12.19
    1,2-dichloroethane 26.51
    n-hexanol 5.18
    2-methoxyethanol 59.69
    isobutyl acetate 9.76
    tetrachloromethane 3.45
    n-pentyl acetate 10.26
    transcutol 89.75
    n-heptanol 3.74
    ethylbenzene 2.27
    MIBK 10.18
    2-propoxyethanol 41.59
    tert-butanol 8.47
    MTBE 5.31
    2-butoxyethanol 22.59
    propionic acid 35.44
    o-xylene 3.25
    formic acid 25.76
    diethyl ether 4.23
    m-xylene 3.12
    p-xylene 3.59
    chlorobenzene 9.28
    dimethyl carbonate 36.79
    n-octane 0.08
    formamide 39.24
    cyclopentanone 88.97
    2-pentanone 16.37
    anisole 9.36
    cyclopentyl methyl ether 19.44
    gamma-butyrolactone 143.87
    1-methoxy-2-propanol 52.16
    pyridine 35.91
    3-pentanone 15.24
    furfural 80.77
    n-dodecane 0.08
    diethylene glycol 40.23
    diisopropyl ether 1.34
    tert-amyl alcohol 9.87
    acetylacetone 30.59
    n-hexadecane 0.1
    acetophenone 19.46
    methyl propionate 33.37
    isopentyl acetate 13.58
    trichloroethylene 98.52
    n-nonanol 2.42
    cyclohexanol 10.02
    benzyl alcohol 14.79
    2-ethylhexanol 3.57
    isooctanol 3.54
    dipropyl ether 4.78
    1,2-dichlorobenzene 11.18
    ethyl lactate 19.42
    propylene carbonate 59.34
    n-methylformamide 45.55
    2-pentanol 4.76
    n-pentane 0.17
    1-propoxy-2-propanol 28.64
    1-methoxy-2-propyl acetate 34.89
    2-(2-methoxypropoxy) propanol 29.36
    mesitylene 1.49
    ε-caprolactone 53.76
    p-cymene 2.29
    epichlorohydrin 135.78
    1,1,1-trichloroethane 18.41
    2-aminoethanol 15.04
    morpholine-4-carbaldehyde 155.77
    sulfolane 244.49
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 31.53
    n-hexyl acetate 9.24
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 30.87
    sec-butyl acetate 9.48
    tert-butyl acetate 14.02
    decalin 0.29
    glycerin 43.55
    diglyme 58.38
    acrylic acid 49.71
    isopropyl myristate 3.56
    n-butyric acid 30.79
    acetyl acetate 16.19
    di(2-ethylhexyl) phthalate 9.4
    ethyl propionate 14.42
    nitromethane 108.71
    1,2-diethoxyethane 12.55
    benzonitrile 12.09
    trioctyl phosphate 5.3
    1-bromopropane 7.48
    gamma-valerolactone 150.22
    n-decanol 1.71
    triethyl phosphate 11.17
    4-methyl-2-pentanol 3.2
    propionitrile 10.55
    vinylene carbonate 52.64
    1,1,2-trichlorotrifluoroethane 155.46
    DMS 30.64
    cumene 1.77
    2-octanol 2.01
    2-hexanone 12.74
    octyl acetate 5.34
    limonene 2.92
    1,2-dimethoxyethane 34.97
    ethyl orthosilicate 9.43
    tributyl phosphate 7.05
    diacetone alcohol 31.53
    N,N-dimethylaniline 8.78
    acrylonitrile 20.32
    aniline 14.86
    1,3-propanediol 20.39
    bromobenzene 7.71
    dibromomethane 21.85
    1,1,2,2-tetrachloroethane 72.72
    2-methyl-cyclohexyl acetate 13.75
    tetrabutyl urea 10.55
    diisobutyl methanol 2.55
    2-phenylethanol 14.79
    styrene 2.83
    dioctyl adipate 10.18
    dimethyl sulfate 94.5
    ethyl butyrate 11.49
    methyl lactate 47.68
    butyl lactate 18.2
    diethyl carbonate 9.73
    propanediol butyl ether 20.52
    triethyl orthoformate 11.48
    p-tert-butyltoluene 2.3
    methyl 4-tert-butylbenzoate 24.04
    morpholine 47.18
    tert-butylamine 2.97
    n-dodecanol 1.22
    dimethoxymethane 53.31
    ethylene carbonate 36.24
    cyrene 51.06
    2-ethoxyethyl acetate 24.64
    2-ethylhexyl acetate 10.47
    1,2,4-trichlorobenzene 22.1
    4-methylpyridine 29.33
    dibutyl ether 2.27
    2,6-dimethyl-4-heptanol 2.55
    DEF 35.07
    dimethyl isosorbide 65.27
    tetrachloroethylene 33.51
    eugenol 24.82
    triacetin 27.59
    span 80 23.28
    1,4-butanediol 7.4
    1,1-dichloroethane 17.96
    2-methyl-1-pentanol 7.02
    methyl formate 34.78
    2-methyl-1-butanol 8.39
    n-decane 0.13
    butyronitrile 7.11
    3,7-dimethyl-1-octanol 2.8
    1-chlorooctane 0.91
    1-chlorotetradecane 0.41
    n-nonane 0.11
    undecane 0.1
    tert-butylcyclohexane 0.25
    cyclooctane 0.09
    cyclopentanol 18.63
    tetrahydropyran 14.26
    tert-amyl methyl ether 6.21
    2,5,8-trioxanonane 41.19
    1-hexene 1.12
    2-isopropoxyethanol 19.83
    2,2,2-trifluoroethanol 30.28
    methyl butyrate 19.98

    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