5,7-Dihydroxy-2-(4-Hydroxy-3,5-Dimethoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxychromen-4-One

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  • Identifiers

    CAS number
    40039-49-4

    Molecular formula
    C23H24O13

    SMILES
    COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)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 72.15%
    Vanilla 35.65%
    Phenolic 32.48%
    Milky 24.69%
    Burnt 23.17%
    Smoky 22.15%
    Savory 20.83%
    Balsamic 20.76%
    Sweet 20.61%
    Creamy 20.39%

     

    Flavor
    Bitter 75.42%
    Bland 36.14%
    Odorless 34.34%
    Sweet-like 26.03%
    Eugenol 20.89%
    Parsley 20.81%
    Cedarleaf 20.36%
    Very mild 20.12%
    Lovage 19.48%
    Ethyl benzoate 19.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.56 (weak base)

    Molecular weight
    508.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4355°C

    Flash point

    • 295.68 ˚C est.

  • Synonyms

    • 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • 5,7-Dihydroxy-2-(4-Hydroxy-3,5-Dimethoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxychromen-4-One
    • RefChem:1072245
    • 40039-49-4
    • syringetin-3-o-glucoside
    • SYRINGETIN-3-GLUCOSIDE
    • Syringetin 3-O-beta-D-glucoside
    • Syringetin 3-O-glucoside
    • C23H24O13
    • Syringetin-3-O-beta-D-glucoside
    • tricin-3-O-glucoside
    • SCHEMBL4650080
    • CHEMBL1600723
    • SCHEMBL29962206
    • CHEBI:192639
    • JMFWYRWPJVEZPV-AVGVHVDKSA-N
    • DTXSID001346144
    • HY-N8194
    • AKOS040760728
    • CCG-208439
    • NCGC00163630-01
    • DA-58217
    • MS-29444
    • CS-0140291
    • SR-05000002247
    • SR-05000002247-2
    • Q63409100
    • myricetin 3',5'-dimethylether 3-O-beta-D-glucopyranoside
    • 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 40039-49-4

  • Applications

    5,7-Dihydroxy-2-(4-Hydroxy-3,5-Dimethoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxychromen-4-One (CAS 40039-49-4) is a polyphenolic chromone derivative that can serve as an intermediate or building block in the synthesis of polyphenolic compounds for pharmaceutical research and agrochemical development; it may be evaluated as an antioxidant and could be used as a skin-conditioning or cosmetic formulation ingredient, and in coatings and inks it may act as a stabilizing antioxidant additive to improve durability; in polymers it may be explored as a functional additive with radical-scavenging properties, depending on formulation and regulatory constraints. Overall, its applications are typically as an intermediate or research additive, with specific uses depending on formulation conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.72
    methanol 3.31
    isopropanol 1.02
    water 0.05
    ethyl acetate 0.14
    n-propanol 2.27
    acetone 0.57
    n-butanol 0.82
    acetonitrile 0.16
    DMF 14.39
    toluene 0.02
    isobutanol 0.61
    1,4-dioxane 2.12
    methyl acetate 0.5
    THF 3.33
    2-butanone 0.99
    n-pentanol 0.42
    sec-butanol 1.13
    n-hexane 0.0
    ethylene glycol 9.45
    NMP 20.69
    cyclohexane 0.01
    DMSO 33.53
    n-butyl acetate 0.1
    n-octanol 0.28
    chloroform 0.05
    n-propyl acetate 0.12
    acetic acid 6.55
    dichloromethane 0.07
    cyclohexanone 0.97
    propylene glycol 10.55
    isopropyl acetate 0.07
    DMAc 17.47
    2-ethoxyethanol 6.8
    isopentanol 0.28
    n-heptane 0.01
    ethyl formate 0.36
    1,2-dichloroethane 0.09
    n-hexanol 0.19
    2-methoxyethanol 19.24
    isobutyl acetate 0.05
    tetrachloromethane 0.01
    n-pentyl acetate 0.23
    transcutol 6.89
    n-heptanol 0.35
    ethylbenzene 0.01
    MIBK 0.09
    2-propoxyethanol 3.31
    tert-butanol 0.42
    MTBE 0.11
    2-butoxyethanol 2.65
    propionic acid 2.44
    o-xylene 0.02
    formic acid 14.28
    diethyl ether 0.19
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.62
    n-octane 0.01
    formamide 12.95
    cyclopentanone 2.18
    2-pentanone 0.29
    anisole 0.07
    cyclopentyl methyl ether 0.34
    gamma-butyrolactone 3.44
    1-methoxy-2-propanol 8.91
    pyridine 0.75
    3-pentanone 0.27
    furfural 2.48
    n-dodecane 0.0
    diethylene glycol 7.18
    diisopropyl ether 0.02
    tert-amyl alcohol 0.51
    acetylacetone 0.35
    n-hexadecane 0.0
    acetophenone 0.14
    methyl propionate 0.52
    isopentyl acetate 0.08
    trichloroethylene 0.15
    n-nonanol 0.3
    cyclohexanol 0.44
    benzyl alcohol 0.26
    2-ethylhexanol 0.08
    isooctanol 0.19
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.69
    propylene carbonate 0.52
    n-methylformamide 7.06
    2-pentanol 0.28
    n-pentane 0.01
    1-propoxy-2-propanol 1.76
    1-methoxy-2-propyl acetate 0.48
    2-(2-methoxypropoxy) propanol 2.14
    mesitylene 0.01
    ε-caprolactone 1.19
    p-cymene 0.01
    epichlorohydrin 2.12
    1,1,1-trichloroethane 0.02
    2-aminoethanol 9.94
    morpholine-4-carbaldehyde 15.25
    sulfolane 11.61
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.83
    n-hexyl acetate 0.27
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.35
    sec-butyl acetate 0.05
    tert-butyl acetate 0.09
    decalin 0.0
    glycerin 27.43
    diglyme 5.27
    acrylic acid 3.91
    isopropyl myristate 0.07
    n-butyric acid 0.9
    acetyl acetate 0.08
    di(2-ethylhexyl) phthalate 0.18
    ethyl propionate 0.12
    nitromethane 5.63
    1,2-diethoxyethane 0.48
    benzonitrile 0.07
    trioctyl phosphate 0.16
    1-bromopropane 0.05
    gamma-valerolactone 9.72
    n-decanol 0.19
    triethyl phosphate 0.14
    4-methyl-2-pentanol 0.07
    propionitrile 0.23
    vinylene carbonate 0.5
    1,1,2-trichlorotrifluoroethane 7.72
    DMS 0.29
    cumene 0.01
    2-octanol 0.18
    2-hexanone 0.19
    octyl acetate 0.18
    limonene 0.03
    1,2-dimethoxyethane 3.55
    ethyl orthosilicate 0.12
    tributyl phosphate 0.14
    diacetone alcohol 0.89
    N,N-dimethylaniline 0.07
    acrylonitrile 0.48
    aniline 0.16
    1,3-propanediol 7.26
    bromobenzene 0.01
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.18
    2-methyl-cyclohexyl acetate 0.11
    tetrabutyl urea 0.34
    diisobutyl methanol 0.04
    2-phenylethanol 0.15
    styrene 0.01
    dioctyl adipate 0.23
    dimethyl sulfate 2.12
    ethyl butyrate 0.11
    methyl lactate 3.27
    butyl lactate 0.76
    diethyl carbonate 0.08
    propanediol butyl ether 3.39
    triethyl orthoformate 0.2
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.49
    morpholine 5.8
    tert-butylamine 0.09
    n-dodecanol 0.11
    dimethoxymethane 3.99
    ethylene carbonate 0.35
    cyrene 3.3
    2-ethoxyethyl acetate 0.59
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.21
    dibutyl ether 0.12
    2,6-dimethyl-4-heptanol 0.04
    DEF 1.2
    dimethyl isosorbide 1.92
    tetrachloroethylene 0.12
    eugenol 0.74
    triacetin 0.62
    span 80 1.98
    1,4-butanediol 2.17
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.2
    methyl formate 3.28
    2-methyl-1-butanol 0.46
    n-decane 0.01
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.16
    tetrahydropyran 0.64
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 3.7
    1-hexene 0.02
    2-isopropoxyethanol 1.89
    2,2,2-trifluoroethanol 2.5
    methyl butyrate 0.21

    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