Isomangiferin

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  • Identifiers

    CAS number
    24699-16-9

    Molecular formula
    C19H18O11

    SMILES
    C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 80.05%
    Phenolic 33.89%
    Burnt 24.64%
    Vanilla 20.95%
    Smoky 19.81%
    Savory 19.54%
    Bitter 18.67%
    Milky 17.27%
    Balsamic 15.27%
    Caramellic 14.86%

     

    Flavor
    Bitter 80.67%
    Odorless 39.1%
    Bland 29.89%
    Sweet-like 26.35%
    Mild 20.4%
    Very mild 19.94%
    Cedarleaf 19.94%
    Eugenol 19.39%
    Nitrile 19.16%
    Very slight 19.09%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    7.88 (neutral)

    Molecular weight
    422.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3695°C

    Flash point

    • 345.04 ˚C est.

  • Synonyms

    • Isomangiferin
    • 24699-16-9
    • JJ747C4BW7
    • CHEBI:80840
    • DTXSID30179435
    • RefChem:149528
    • DTXCID60101926
    • 9H-Xanthen-9-one, 4-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
    • MFCD00238624
    • 1,3,6,7-Tetrahydroxy-4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one
    • (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol
    • 4-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one
    • isomucoside
    • iso-mangiferin
    • Isomangiferin (Standard)
    • orb1303582
    • SCHEMBL20597612
    • SCHEMBL29360154
    • HY-N0772R
    • HY-N0772
    • MSK175227
    • AKOS024465129
    • CS-4662
    • EBC-615835
    • FI65501
    • 1,3,6,7-TETRAHYDROXY-4-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-9H-XANTHEN-9-ONE
    • AC-35047
    • AS-77281
    • DA-54432
    • 4-C-Glucosyl-1,3,6,7-tetrahydroxyxanthone
    • C16979
    • Q27151338
    • 9H-Xanthen-9-one, 4-|A-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
    • 9H-Xanthen-9-one, 4-ss-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
    • 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
    • 4-C-Glucosyl-1,3,6,7-tetrahydroxyxanthone; 1,3,6,7-tetrahydroxy-4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one
    • Isomangiferin1,3,6,7-Tetrahydroxy-4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one; 4-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one; 4-Glucosyl-1,3,6,7-tetrahydroxyxanthone
    • 24699-16-9

  • Applications

    Isomangiferin (CAS 24699-16-9) is a polyphenolic xanthone glycoside with potential uses across several industries. In cosmetics and personal care, it is considered a natural antioxidant and may act as a skin-conditioning aid, helping stabilize formulations and protect against oxidative damage. In food processing, it may be used as a natural antioxidant and, owing to its yellow color, as a natural colorant in certain products. In pharmaceutical and nutraceutical contexts, it is evaluated as an antioxidant-active ingredient and can serve as an excipient or formulation component. In coatings, inks, and polymer-based systems, it can act as an antioxidant stabilizer and contribute to color, potentially enhancing durability of finishes. In polymers/plastics, it may function as a stabilizer to improve thermal and oxidative stability. In household products and cleaning formulations, it can be explored as a natural antioxidant additive for surface-care products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.29
    methanol 43.68
    isopropanol 6.02
    water 1.61
    ethyl acetate 0.5
    n-propanol 11.49
    acetone 1.88
    n-butanol 2.92
    acetonitrile 0.6
    DMF 78.9
    toluene 0.07
    isobutanol 2.07
    1,4-dioxane 3.81
    methyl acetate 0.91
    THF 7.96
    2-butanone 2.17
    n-pentanol 1.29
    sec-butanol 3.38
    n-hexane 0.02
    ethylene glycol 95.3
    NMP 65.65
    cyclohexane 0.06
    DMSO 172.15
    n-butyl acetate 0.34
    n-octanol 0.71
    chloroform 0.02
    n-propyl acetate 0.35
    acetic acid 23.96
    dichloromethane 0.04
    cyclohexanone 2.41
    propylene glycol 68.08
    isopropyl acetate 0.26
    DMAc 56.41
    2-ethoxyethanol 27.96
    isopentanol 0.87
    n-heptane 0.07
    ethyl formate 1.14
    1,2-dichloroethane 0.09
    n-hexanol 0.89
    2-methoxyethanol 110.98
    isobutyl acetate 0.08
    tetrachloromethane 0.02
    n-pentyl acetate 0.42
    transcutol 14.86
    n-heptanol 1.09
    ethylbenzene 0.04
    MIBK 0.32
    2-propoxyethanol 13.98
    tert-butanol 1.83
    MTBE 0.23
    2-butoxyethanol 7.03
    propionic acid 7.15
    o-xylene 0.07
    formic acid 134.61
    diethyl ether 0.66
    m-xylene 0.05
    p-xylene 0.04
    chlorobenzene 0.01
    dimethyl carbonate 2.08
    n-octane 0.04
    formamide 130.64
    cyclopentanone 5.41
    2-pentanone 0.99
    anisole 0.16
    cyclopentyl methyl ether 1.12
    gamma-butyrolactone 8.26
    1-methoxy-2-propanol 48.01
    pyridine 1.65
    3-pentanone 0.77
    furfural 5.91
    n-dodecane 0.02
    diethylene glycol 40.54
    diisopropyl ether 0.08
    tert-amyl alcohol 1.47
    acetylacetone 1.16
    n-hexadecane 0.02
    acetophenone 0.34
    methyl propionate 1.81
    isopentyl acetate 0.22
    trichloroethylene 0.09
    n-nonanol 0.75
    cyclohexanol 1.41
    benzyl alcohol 0.68
    2-ethylhexanol 0.28
    isooctanol 0.51
    dipropyl ether 0.69
    1,2-dichlorobenzene 0.02
    ethyl lactate 2.48
    propylene carbonate 1.29
    n-methylformamide 45.02
    2-pentanol 1.07
    n-pentane 0.05
    1-propoxy-2-propanol 6.71
    1-methoxy-2-propyl acetate 1.64
    2-(2-methoxypropoxy) propanol 4.9
    mesitylene 0.03
    ε-caprolactone 2.72
    p-cymene 0.05
    epichlorohydrin 2.55
    1,1,1-trichloroethane 0.01
    2-aminoethanol 87.71
    morpholine-4-carbaldehyde 45.78
    sulfolane 29.33
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.69
    n-hexyl acetate 0.44
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.02
    sec-butyl acetate 0.13
    tert-butyl acetate 0.3
    decalin 0.01
    glycerin 158.58
    diglyme 10.78
    acrylic acid 11.06
    isopropyl myristate 0.17
    n-butyric acid 2.76
    acetyl acetate 0.2
    di(2-ethylhexyl) phthalate 0.35
    ethyl propionate 0.38
    nitromethane 17.62
    1,2-diethoxyethane 0.93
    benzonitrile 0.15
    trioctyl phosphate 0.39
    1-bromopropane 0.07
    gamma-valerolactone 22.97
    n-decanol 0.54
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.29
    propionitrile 0.64
    vinylene carbonate 1.09
    1,1,2-trichlorotrifluoroethane 12.6
    DMS 0.58
    cumene 0.03
    2-octanol 0.46
    2-hexanone 0.42
    octyl acetate 0.36
    limonene 0.1
    1,2-dimethoxyethane 9.63
    ethyl orthosilicate 0.31
    tributyl phosphate 0.3
    diacetone alcohol 3.54
    N,N-dimethylaniline 0.24
    acrylonitrile 1.34
    aniline 0.45
    1,3-propanediol 47.11
    bromobenzene 0.01
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.14
    2-methyl-cyclohexyl acetate 0.27
    tetrabutyl urea 0.9
    diisobutyl methanol 0.16
    2-phenylethanol 0.53
    styrene 0.03
    dioctyl adipate 0.46
    dimethyl sulfate 5.72
    ethyl butyrate 0.39
    methyl lactate 14.41
    butyl lactate 1.86
    diethyl carbonate 0.24
    propanediol butyl ether 9.0
    triethyl orthoformate 0.52
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.16
    morpholine 13.3
    tert-butylamine 0.42
    n-dodecanol 0.36
    dimethoxymethane 16.82
    ethylene carbonate 0.82
    cyrene 8.89
    2-ethoxyethyl acetate 0.95
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.5
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.16
    DEF 4.46
    dimethyl isosorbide 5.29
    tetrachloroethylene 0.15
    eugenol 1.95
    triacetin 1.1
    span 80 4.44
    1,4-butanediol 12.06
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.44
    methyl formate 14.95
    2-methyl-1-butanol 1.14
    n-decane 0.05
    butyronitrile 0.35
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.09
    1-chlorotetradecane 0.04
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 3.62
    tetrahydropyran 1.63
    tert-amyl methyl ether 0.36
    2,5,8-trioxanonane 8.5
    1-hexene 0.07
    2-isopropoxyethanol 5.22
    2,2,2-trifluoroethanol 9.29
    methyl butyrate 0.65

    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