Homomangiferin

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  • Identifiers

    CAS number
    21794-66-1

    Molecular formula
    C20H20O11

    SMILES
    COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.31%
    Phenolic 32.75%
    Vanilla 28.99%
    Burnt 24.37%
    Smoky 21.25%
    Milky 20.96%
    Sweet 19.97%
    Savory 19.77%
    Bitter 19.11%
    Caramellic 17.66%

     

    Flavor
    Bitter 81.22%
    Odorless 36.48%
    Bland 32.03%
    Sweet-like 26.26%
    Cedarleaf 20.1%
    Very mild 19.9%
    Eugenol 19.57%
    Parsley 19.49%
    Lovage 19.14%
    Very slight 18.87%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.96 (neutral)

    Molecular weight
    436.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3385°C

    Flash point

    • 332.83 ˚C est.

  • Synonyms

    • Homomangiferin
    • 21794-66-1
    • DTXSID70176206
    • RefChem:146746
    • DTXCID4098697
    • 1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
    • 1,6,7-Trihydroxy-3-methoxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one
    • Mangiferin, 3-O-methyl-
    • orb1684544
    • CHEMBL3233510
    • SCHEMBL21223797
    • AKOS040760450
    • DA-54060
    • FH168796
    • HY-111811
    • CS-0092629
    • 9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,6,7-trihydroxy-3-methoxy-
    • (1S)-1,5-Anhydro-1-(1,6,7-trihydroxy-3-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol
    • 1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
    • 21794-66-1

  • Applications

    Homomangiferin (CAS 21794-66-1) is a natural polyphenolic glycoside with antioxidant and stabilizing properties, and is typically considered for use across several industries. In cosmetics and personal care, it is commonly evaluated as a natural antioxidant and potential stabilizer in formulations. In coatings and inks, and in polymers/plastics, it may function as an antioxidant stabilizer to extend product life and reduce degradation. In food processing and nutraceuticals, it can be considered as a natural antioxidant or precursor for synthesis of related bioactives, subject to regulatory limits. In pharmaceuticals, it may serve as an intermediate for synthesis of related compounds or as a functional ingredient in formulated products, where allowed. In household products, it may be evaluated for similar antioxidant or stabilizing roles, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.8
    methanol 40.33
    isopropanol 3.88
    water 1.31
    ethyl acetate 0.47
    n-propanol 8.13
    acetone 2.7
    n-butanol 2.19
    acetonitrile 0.61
    DMF 66.96
    toluene 0.07
    isobutanol 1.58
    1,4-dioxane 5.01
    methyl acetate 1.01
    THF 9.55
    2-butanone 2.15
    n-pentanol 1.14
    sec-butanol 2.26
    n-hexane 0.02
    ethylene glycol 59.02
    NMP 56.41
    cyclohexane 0.06
    DMSO 150.25
    n-butyl acetate 0.29
    n-octanol 0.6
    chloroform 0.06
    n-propyl acetate 0.34
    acetic acid 26.06
    dichloromethane 0.1
    cyclohexanone 2.85
    propylene glycol 37.04
    isopropyl acetate 0.23
    DMAc 47.66
    2-ethoxyethanol 24.15
    isopentanol 0.73
    n-heptane 0.05
    ethyl formate 1.58
    1,2-dichloroethane 0.19
    n-hexanol 0.65
    2-methoxyethanol 88.56
    isobutyl acetate 0.09
    tetrachloromethane 0.04
    n-pentyl acetate 0.38
    transcutol 11.28
    n-heptanol 0.85
    ethylbenzene 0.04
    MIBK 0.28
    2-propoxyethanol 9.9
    tert-butanol 1.27
    MTBE 0.18
    2-butoxyethanol 5.43
    propionic acid 6.06
    o-xylene 0.07
    formic acid 118.05
    diethyl ether 0.51
    m-xylene 0.05
    p-xylene 0.05
    chlorobenzene 0.03
    dimethyl carbonate 2.22
    n-octane 0.03
    formamide 111.6
    cyclopentanone 6.87
    2-pentanone 0.91
    anisole 0.18
    cyclopentyl methyl ether 1.01
    gamma-butyrolactone 9.95
    1-methoxy-2-propanol 29.26
    pyridine 1.87
    3-pentanone 0.69
    furfural 7.31
    n-dodecane 0.02
    diethylene glycol 28.16
    diisopropyl ether 0.06
    tert-amyl alcohol 0.97
    acetylacetone 1.28
    n-hexadecane 0.02
    acetophenone 0.4
    methyl propionate 1.64
    isopentyl acetate 0.2
    trichloroethylene 0.22
    n-nonanol 0.64
    cyclohexanol 1.18
    benzyl alcohol 0.76
    2-ethylhexanol 0.22
    isooctanol 0.4
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.03
    ethyl lactate 2.03
    propylene carbonate 1.65
    n-methylformamide 40.53
    2-pentanol 0.66
    n-pentane 0.04
    1-propoxy-2-propanol 4.26
    1-methoxy-2-propyl acetate 1.26
    2-(2-methoxypropoxy) propanol 3.66
    mesitylene 0.03
    ε-caprolactone 2.95
    p-cymene 0.05
    epichlorohydrin 4.01
    1,1,1-trichloroethane 0.03
    2-aminoethanol 49.03
    morpholine-4-carbaldehyde 41.19
    sulfolane 29.27
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.76
    n-hexyl acetate 0.45
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.22
    sec-butyl acetate 0.13
    tert-butyl acetate 0.26
    decalin 0.01
    glycerin 92.55
    diglyme 9.63
    acrylic acid 9.77
    isopropyl myristate 0.16
    n-butyric acid 2.5
    acetyl acetate 0.24
    di(2-ethylhexyl) phthalate 0.37
    ethyl propionate 0.36
    nitromethane 20.76
    1,2-diethoxyethane 0.8
    benzonitrile 0.2
    trioctyl phosphate 0.39
    1-bromopropane 0.1
    gamma-valerolactone 25.8
    n-decanol 0.44
    triethyl phosphate 0.37
    4-methyl-2-pentanol 0.2
    propionitrile 0.61
    vinylene carbonate 1.5
    1,1,2-trichlorotrifluoroethane 14.77
    DMS 0.6
    cumene 0.03
    2-octanol 0.36
    2-hexanone 0.44
    octyl acetate 0.35
    limonene 0.09
    1,2-dimethoxyethane 10.28
    ethyl orthosilicate 0.3
    tributyl phosphate 0.31
    diacetone alcohol 2.69
    N,N-dimethylaniline 0.23
    acrylonitrile 1.34
    aniline 0.47
    1,3-propanediol 35.74
    bromobenzene 0.01
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.29
    2-methyl-cyclohexyl acetate 0.27
    tetrabutyl urea 0.83
    diisobutyl methanol 0.11
    2-phenylethanol 0.54
    styrene 0.04
    dioctyl adipate 0.48
    dimethyl sulfate 6.19
    ethyl butyrate 0.33
    methyl lactate 10.63
    butyl lactate 1.41
    diethyl carbonate 0.24
    propanediol butyl ether 6.47
    triethyl orthoformate 0.47
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.02
    morpholine 13.41
    tert-butylamine 0.29
    n-dodecanol 0.29
    dimethoxymethane 15.84
    ethylene carbonate 1.09
    cyrene 7.52
    2-ethoxyethyl acetate 0.91
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.6
    dibutyl ether 0.24
    2,6-dimethyl-4-heptanol 0.11
    DEF 3.72
    dimethyl isosorbide 4.42
    tetrachloroethylene 0.3
    eugenol 1.63
    triacetin 1.05
    span 80 3.35
    1,4-butanediol 10.03
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.41
    methyl formate 17.29
    2-methyl-1-butanol 0.9
    n-decane 0.04
    butyronitrile 0.34
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.09
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 3.34
    tetrahydropyran 1.72
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 7.37
    1-hexene 0.07
    2-isopropoxyethanol 4.68
    2,2,2-trifluoroethanol 11.45
    methyl butyrate 0.64

    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