Mangostanol

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  • Identifiers

    CAS number
    184587-72-2

    Molecular formula
    C24H26O7

    SMILES
    CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C(C4)O)(C)C)O)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 45.44%
    Spicy 41.47%
    Woody 36.23%
    Dry 28.72%
    Odorless 28.17%
    Smoky 27.81%
    Burnt 26.55%
    Sweet 25.4%
    Fruity 24.64%
    Leathery 22.8%

     

    Flavor
    Bitter 84.6%
    Bland 23.09%
    Parsley 21.23%
    Cedarleaf 20.59%
    Lovage 19.65%
    Eugenol 19.5%
    Ripe apricot 19.04%
    Odorless 19.0%
    Red fruit 18.97%
    Sweet-like 18.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    9.8 (weak base)

    Molecular weight
    426.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1839°C

    Flash point

    • 256.26 ˚C est.

  • Synonyms

    • MANGOSTANOL
    • 184587-72-2
    • (+)-Mangostanol
    • 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one
    • 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one
    • 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano(3,2-b)xanthen-6-one
    • RefChem:155634
    • CHEMBL1224250
    • 2H,6H-Pyrano[3,2-b]xanthen-6-one, 3,4-dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-, (+)- (9CI); (+)-3,4-Dihydro-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one; (+)-Mangostanol
    • 3,5,9-Trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one
    • orb1682163
    • SCHEMBL30662541
    • DTXSID301318291
    • HY-N3324
    • BDBM50325676
    • AKOS032961774
    • DA-75301
    • FS-10507
    • CS-0023896
    • 184587-72-2

  • Applications

    Mangostanol (CAS 184587-72-2) is a polyphenolic xanthone derivative that is primarily encountered in research and development as an intermediate or building block in synthetic routes to xanthone derivatives; it is also evaluated for pharmaceutical and natural product research as a potential bioactive lead; in cosmetics and personal care, it is studied as an antioxidant or active ingredient in formulation development; in analytical and materials research, it can serve as a reference compound for structural elucidation and analytical method development and may act as a functional component in polymer or coating systems, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.77
    methanol 9.78
    isopropanol 4.76
    water 0.01
    ethyl acetate 17.06
    n-propanol 7.6
    acetone 20.99
    n-butanol 5.09
    acetonitrile 9.89
    DMF 109.51
    toluene 2.5
    isobutanol 5.16
    1,4-dioxane 29.82
    methyl acetate 26.36
    THF 74.33
    2-butanone 23.98
    n-pentanol 3.87
    sec-butanol 4.81
    n-hexane 0.08
    ethylene glycol 6.05
    NMP 171.24
    cyclohexane 0.19
    DMSO 102.28
    n-butyl acetate 11.4
    n-octanol 1.97
    chloroform 67.46
    n-propyl acetate 12.49
    acetic acid 92.31
    dichloromethane 52.04
    cyclohexanone 39.83
    propylene glycol 8.74
    isopropyl acetate 10.28
    DMAc 169.79
    2-ethoxyethanol 25.12
    isopentanol 4.58
    n-heptane 0.1
    ethyl formate 14.04
    1,2-dichloroethane 24.05
    n-hexanol 3.25
    2-methoxyethanol 51.75
    isobutyl acetate 7.93
    tetrachloromethane 3.15
    n-pentyl acetate 9.12
    transcutol 73.15
    n-heptanol 2.85
    ethylbenzene 1.23
    MIBK 8.38
    2-propoxyethanol 36.79
    tert-butanol 5.73
    MTBE 3.97
    2-butoxyethanol 20.37
    propionic acid 26.22
    o-xylene 1.84
    formic acid 31.43
    diethyl ether 4.29
    m-xylene 1.61
    p-xylene 2.07
    chlorobenzene 6.78
    dimethyl carbonate 34.1
    n-octane 0.05
    formamide 37.87
    cyclopentanone 68.86
    2-pentanone 13.65
    anisole 6.86
    cyclopentyl methyl ether 14.69
    gamma-butyrolactone 110.68
    1-methoxy-2-propanol 35.39
    pyridine 30.88
    3-pentanone 12.61
    furfural 73.74
    n-dodecane 0.07
    diethylene glycol 37.73
    diisopropyl ether 1.12
    tert-amyl alcohol 5.36
    acetylacetone 28.88
    n-hexadecane 0.09
    acetophenone 13.78
    methyl propionate 27.7
    isopentyl acetate 11.21
    trichloroethylene 96.05
    n-nonanol 2.34
    cyclohexanol 6.36
    benzyl alcohol 10.45
    2-ethylhexanol 2.43
    isooctanol 2.67
    dipropyl ether 3.49
    1,2-dichlorobenzene 8.82
    ethyl lactate 14.72
    propylene carbonate 44.8
    n-methylformamide 43.53
    2-pentanol 2.8
    n-pentane 0.09
    1-propoxy-2-propanol 20.94
    1-methoxy-2-propyl acetate 27.89
    2-(2-methoxypropoxy) propanol 24.11
    mesitylene 0.88
    ε-caprolactone 45.41
    p-cymene 1.43
    epichlorohydrin 109.03
    1,1,1-trichloroethane 17.75
    2-aminoethanol 9.96
    morpholine-4-carbaldehyde 140.81
    sulfolane 154.76
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 24.99
    n-hexyl acetate 9.2
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 26.38
    sec-butyl acetate 7.79
    tert-butyl acetate 10.99
    decalin 0.16
    glycerin 26.02
    diglyme 56.67
    acrylic acid 40.42
    isopropyl myristate 3.63
    n-butyric acid 25.35
    acetyl acetate 20.43
    di(2-ethylhexyl) phthalate 7.86
    ethyl propionate 12.09
    nitromethane 146.46
    1,2-diethoxyethane 12.19
    benzonitrile 10.69
    trioctyl phosphate 4.67
    1-bromopropane 5.44
    gamma-valerolactone 135.68
    n-decanol 1.62
    triethyl phosphate 8.52
    4-methyl-2-pentanol 2.11
    propionitrile 9.4
    vinylene carbonate 46.01
    1,1,2-trichlorotrifluoroethane 128.99
    DMS 23.55
    cumene 0.96
    2-octanol 1.54
    2-hexanone 10.4
    octyl acetate 5.25
    limonene 1.85
    1,2-dimethoxyethane 38.39
    ethyl orthosilicate 7.09
    tributyl phosphate 6.07
    diacetone alcohol 23.0
    N,N-dimethylaniline 5.86
    acrylonitrile 19.72
    aniline 9.18
    1,3-propanediol 15.33
    bromobenzene 5.96
    dibromomethane 18.52
    1,1,2,2-tetrachloroethane 66.95
    2-methyl-cyclohexyl acetate 10.55
    tetrabutyl urea 9.37
    diisobutyl methanol 1.81
    2-phenylethanol 11.05
    styrene 1.6
    dioctyl adipate 9.02
    dimethyl sulfate 74.63
    ethyl butyrate 9.4
    methyl lactate 34.94
    butyl lactate 12.89
    diethyl carbonate 8.34
    propanediol butyl ether 16.04
    triethyl orthoformate 9.16
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 17.63
    morpholine 46.86
    tert-butylamine 1.76
    n-dodecanol 1.14
    dimethoxymethane 50.55
    ethylene carbonate 34.26
    cyrene 36.68
    2-ethoxyethyl acetate 22.17
    2-ethylhexyl acetate 8.47
    1,2,4-trichlorobenzene 16.43
    4-methylpyridine 22.83
    dibutyl ether 2.31
    2,6-dimethyl-4-heptanol 1.81
    DEF 30.31
    dimethyl isosorbide 47.8
    tetrachloroethylene 31.97
    eugenol 19.04
    triacetin 23.71
    span 80 17.26
    1,4-butanediol 5.33
    1,1-dichloroethane 17.05
    2-methyl-1-pentanol 3.81
    methyl formate 38.76
    2-methyl-1-butanol 5.05
    n-decane 0.11
    butyronitrile 6.53
    3,7-dimethyl-1-octanol 2.54
    1-chlorooctane 0.85
    1-chlorotetradecane 0.38
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.13
    cyclooctane 0.07
    cyclopentanol 11.98
    tetrahydropyran 14.64
    tert-amyl methyl ether 4.26
    2,5,8-trioxanonane 38.18
    1-hexene 0.47
    2-isopropoxyethanol 15.33
    2,2,2-trifluoroethanol 30.22
    methyl butyrate 16.7

    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