Mangostenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    437711-43-8

    Molecular formula
    C24H26O7

    SMILES
    CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC(C(=C)C)O)O)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.47%
    Spicy 34.9%
    Woody 31.85%
    Phenolic 31.13%
    Fruity 28.36%
    Dry 27.74%
    Burnt 22.34%
    Balsamic 21.53%
    Sweet 21.01%
    Smoky 20.44%

     

    Flavor
    Bitter 86.11%
    Odorless 27.96%
    Bland 25.08%
    Cedarleaf 20.24%
    Parsley 20.1%
    Sweet-like 19.83%
    Lovage 19.17%
    Broom 19.14%
    Heather 19.01%
    Nitrile 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    10.02 (weak base)

    Molecular weight
    426.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1585°C

    Flash point

    • 267.29 ˚C est.

  • Synonyms

    • Mangostenol
    • 1,3,6-trihydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
    • 1,3,6-trihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
    • RefChem:925277
    • 437711-43-8
    • SCHEMBL2048083
    • CHEBI:178161
    • DTXSID201108675
    • (-)-1,3,6-Trihydroxy-2-(2-hydroxy-3-methyl-3-buten-1-yl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
    • 1,3,6-trihydroxy-2-(2-hydroxy-3-methyl-but-3-enyl)-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
    • 9H-Xanthen-9-one, 1,3,6-trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-7-methoxy-8-(3-methyl-2-butenyl)-
    • 437711-43-8

  • Applications

    Mangostenol (CAS 437711-43-8) is used as an intermediate in specialty chemical synthesis and is evaluated for fragrance and cosmetic applications, potentially serving as a fragrance ingredient or odorant; it may also function as a building block for polymer and plastic formulations; in coatings and inks, it can be explored as an additive to influence material properties and scent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.4
    methanol 32.12
    isopropanol 15.25
    water 0.04
    ethyl acetate 13.87
    n-propanol 22.34
    acetone 29.04
    n-butanol 12.16
    acetonitrile 8.98
    DMF 190.36
    toluene 1.92
    isobutanol 12.33
    1,4-dioxane 24.94
    methyl acetate 27.76
    THF 105.47
    2-butanone 30.88
    n-pentanol 10.01
    sec-butanol 14.53
    n-hexane 0.12
    ethylene glycol 20.52
    NMP 250.81
    cyclohexane 0.19
    DMSO 244.06
    n-butyl acetate 9.32
    n-octanol 2.2
    chloroform 20.09
    n-propyl acetate 11.76
    acetic acid 148.96
    dichloromethane 17.6
    cyclohexanone 43.02
    propylene glycol 44.99
    isopropyl acetate 8.93
    DMAc 249.66
    2-ethoxyethanol 54.29
    isopentanol 9.09
    n-heptane 0.12
    ethyl formate 13.33
    1,2-dichloroethane 13.49
    n-hexanol 5.81
    2-methoxyethanol 125.39
    isobutyl acetate 6.44
    tetrachloromethane 1.67
    n-pentyl acetate 7.26
    transcutol 90.63
    n-heptanol 3.97
    ethylbenzene 1.12
    MIBK 9.14
    2-propoxyethanol 53.87
    tert-butanol 13.96
    MTBE 4.92
    2-butoxyethanol 25.97
    propionic acid 47.57
    o-xylene 1.51
    formic acid 63.55
    diethyl ether 4.63
    m-xylene 1.28
    p-xylene 1.67
    chlorobenzene 3.34
    dimethyl carbonate 31.6
    n-octane 0.06
    formamide 80.27
    cyclopentanone 88.15
    2-pentanone 16.31
    anisole 6.83
    cyclopentyl methyl ether 15.83
    gamma-butyrolactone 126.97
    1-methoxy-2-propanol 92.2
    pyridine 27.89
    3-pentanone 12.46
    furfural 65.43
    n-dodecane 0.06
    diethylene glycol 62.99
    diisopropyl ether 1.03
    tert-amyl alcohol 13.64
    acetylacetone 28.1
    n-hexadecane 0.07
    acetophenone 13.87
    methyl propionate 29.17
    isopentyl acetate 8.81
    trichloroethylene 43.14
    n-nonanol 2.51
    cyclohexanol 10.89
    benzyl alcohol 13.89
    2-ethylhexanol 2.94
    isooctanol 3.32
    dipropyl ether 3.69
    1,2-dichlorobenzene 3.86
    ethyl lactate 19.16
    propylene carbonate 43.27
    n-methylformamide 74.49
    2-pentanol 6.54
    n-pentane 0.12
    1-propoxy-2-propanol 29.74
    1-methoxy-2-propyl acetate 25.66
    2-(2-methoxypropoxy) propanol 26.63
    mesitylene 0.66
    ε-caprolactone 47.73
    p-cymene 1.07
    epichlorohydrin 100.84
    1,1,1-trichloroethane 7.76
    2-aminoethanol 39.55
    morpholine-4-carbaldehyde 166.35
    sulfolane 220.79
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 28.63
    n-hexyl acetate 7.12
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 33.54
    sec-butyl acetate 6.99
    tert-butyl acetate 10.87
    decalin 0.14
    glycerin 92.33
    diglyme 57.13
    acrylic acid 61.23
    isopropyl myristate 2.61
    n-butyric acid 38.02
    acetyl acetate 12.37
    di(2-ethylhexyl) phthalate 6.35
    ethyl propionate 10.89
    nitromethane 159.35
    1,2-diethoxyethane 10.79
    benzonitrile 7.46
    trioctyl phosphate 4.26
    1-bromopropane 3.78
    gamma-valerolactone 162.48
    n-decanol 1.8
    triethyl phosphate 7.13
    4-methyl-2-pentanol 3.62
    propionitrile 9.83
    vinylene carbonate 36.81
    1,1,2-trichlorotrifluoroethane 137.98
    DMS 17.99
    cumene 0.85
    2-octanol 1.98
    2-hexanone 12.17
    octyl acetate 4.23
    limonene 1.49
    1,2-dimethoxyethane 48.98
    ethyl orthosilicate 5.99
    tributyl phosphate 5.22
    diacetone alcohol 36.63
    N,N-dimethylaniline 5.9
    acrylonitrile 18.51
    aniline 10.16
    1,3-propanediol 47.14
    bromobenzene 2.32
    dibromomethane 7.45
    1,1,2,2-tetrachloroethane 34.79
    2-methyl-cyclohexyl acetate 8.96
    tetrabutyl urea 8.13
    diisobutyl methanol 2.01
    2-phenylethanol 11.32
    styrene 1.34
    dioctyl adipate 6.98
    dimethyl sulfate 76.38
    ethyl butyrate 7.74
    methyl lactate 55.05
    butyl lactate 14.81
    diethyl carbonate 6.25
    propanediol butyl ether 24.86
    triethyl orthoformate 7.7
    p-tert-butyltoluene 1.06
    methyl 4-tert-butylbenzoate 16.19
    morpholine 57.93
    tert-butylamine 3.45
    n-dodecanol 1.28
    dimethoxymethane 70.94
    ethylene carbonate 26.47
    cyrene 47.63
    2-ethoxyethyl acetate 17.21
    2-ethylhexyl acetate 6.15
    1,2,4-trichlorobenzene 8.14
    4-methylpyridine 19.46
    dibutyl ether 1.89
    2,6-dimethyl-4-heptanol 2.01
    DEF 35.73
    dimethyl isosorbide 47.26
    tetrachloroethylene 16.1
    eugenol 19.85
    triacetin 18.58
    span 80 21.06
    1,4-butanediol 16.59
    1,1-dichloroethane 8.3
    2-methyl-1-pentanol 7.72
    methyl formate 50.3
    2-methyl-1-butanol 10.72
    n-decane 0.1
    butyronitrile 6.35
    3,7-dimethyl-1-octanol 2.53
    1-chlorooctane 0.62
    1-chlorotetradecane 0.29
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.12
    cyclooctane 0.06
    cyclopentanol 24.41
    tetrahydropyran 14.33
    tert-amyl methyl ether 5.41
    2,5,8-trioxanonane 40.33
    1-hexene 0.72
    2-isopropoxyethanol 27.63
    2,2,2-trifluoroethanol 45.79
    methyl butyrate 16.42

    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