2,3-Dehydrosilychristin

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  • Identifiers

    CAS number
    57499-41-9

    Molecular formula
    C25H20O10

    SMILES
    COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.14%
    Phenolic 46.06%
    Vanilla 32.78%
    Burnt 30.68%
    Smoky 25.31%
    Spicy 23.97%
    Balsamic 23.65%
    Savory 22.74%
    Milky 22.47%
    Creamy 20.72%

     

    Flavor
    Bitter 93.98%
    Bland 28.07%
    Odorless 27.67%
    Sweet-like 22.77%
    Cedarleaf 20.25%
    Parsley 19.91%
    Eugenol 19.41%
    Lovage 19.41%
    Nitrile 18.77%
    Very strong 18.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    10.0 (weak base)

    Molecular weight
    480.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2634°C

    Flash point

    • 305.54 ˚C est.

  • Synonyms

    • 2,3-Dehydrosilychristin
    • 57499-41-9
    • DTXSID00858705
    • 3,5,7-trihydroxy-2-((2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl)chromen-4-one
    • 3,5,7-trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one
    • RefChem:81526
    • DTXCID10809445
    • CHEMBL4076992
    • 4H-1-Benzopyran-4-one, 2-[(2R,3S)-2,3-dihydro-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-benzofuranyl]-3,5,7-trihydroxy-
    • 2,3-dihydrosilychristin
    • orb1992026
    • SCHEMBL30725686
    • BDBM50526626
    • AKOS040734717
    • FS-8445
    • 3,5,7-trihydroxy-2-((2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl)-4H-chromen-4-one
    • 3,5,7-Trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-4H-1-benzopyran-4-one
    • 57499-41-9

  • Applications

    2,3-Dehydrosilychristin, CAS 57499-41-9, is a flavonoid-derived compound primarily used as an intermediate for the synthesis of more complex silychristin-related derivatives. In practice, it is explored as a potential antioxidant and stabilizing additive in cosmetic formulations and as a base stabilizer for polymers. It may be used as an additive in coatings and inks to enhance oxidative stability, and it serves as a reference material or starting point in medicinal chemistry research related to pharmaceutical development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.42
    methanol 0.69
    isopropanol 0.33
    water 0.01
    ethyl acetate 0.1
    n-propanol 0.72
    acetone 0.16
    n-butanol 0.37
    acetonitrile 0.05
    DMF 9.42
    toluene 0.01
    isobutanol 0.24
    1,4-dioxane 1.18
    methyl acetate 0.21
    THF 3.04
    2-butanone 0.5
    n-pentanol 0.18
    sec-butanol 0.39
    n-hexane 0.0
    ethylene glycol 2.56
    NMP 7.0
    cyclohexane 0.0
    DMSO 13.04
    n-butyl acetate 0.1
    n-octanol 0.34
    chloroform 0.02
    n-propyl acetate 0.1
    acetic acid 1.48
    dichloromethane 0.02
    cyclohexanone 0.57
    propylene glycol 2.82
    isopropyl acetate 0.07
    DMAc 9.37
    2-ethoxyethanol 4.95
    isopentanol 0.18
    n-heptane 0.0
    ethyl formate 0.2
    1,2-dichloroethane 0.02
    n-hexanol 0.1
    2-methoxyethanol 16.4
    isobutyl acetate 0.04
    tetrachloromethane 0.0
    n-pentyl acetate 0.3
    transcutol 7.44
    n-heptanol 0.3
    ethylbenzene 0.01
    MIBK 0.09
    2-propoxyethanol 4.17
    tert-butanol 0.18
    MTBE 0.07
    2-butoxyethanol 3.15
    propionic acid 0.73
    o-xylene 0.01
    formic acid 3.13
    diethyl ether 0.09
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.36
    n-octane 0.0
    formamide 3.65
    cyclopentanone 1.47
    2-pentanone 0.2
    anisole 0.05
    cyclopentyl methyl ether 0.21
    gamma-butyrolactone 2.02
    1-methoxy-2-propanol 8.94
    pyridine 0.43
    3-pentanone 0.15
    furfural 1.57
    n-dodecane 0.0
    diethylene glycol 6.19
    diisopropyl ether 0.01
    tert-amyl alcohol 0.24
    acetylacetone 0.3
    n-hexadecane 0.0
    acetophenone 0.1
    methyl propionate 0.34
    isopentyl acetate 0.09
    trichloroethylene 0.06
    n-nonanol 0.38
    cyclohexanol 0.18
    benzyl alcohol 0.16
    2-ethylhexanol 0.06
    isooctanol 0.19
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.52
    propylene carbonate 0.33
    n-methylformamide 3.23
    2-pentanol 0.13
    n-pentane 0.0
    1-propoxy-2-propanol 2.26
    1-methoxy-2-propyl acetate 0.6
    2-(2-methoxypropoxy) propanol 2.3
    mesitylene 0.0
    ε-caprolactone 0.81
    p-cymene 0.01
    epichlorohydrin 1.57
    1,1,1-trichloroethane 0.01
    2-aminoethanol 3.49
    morpholine-4-carbaldehyde 10.3
    sulfolane 6.06
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.46
    n-hexyl acetate 0.42
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.88
    sec-butyl acetate 0.05
    tert-butyl acetate 0.1
    decalin 0.0
    glycerin 13.12
    diglyme 6.03
    acrylic acid 1.19
    isopropyl myristate 0.11
    n-butyric acid 0.57
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.2
    ethyl propionate 0.1
    nitromethane 2.4
    1,2-diethoxyethane 0.62
    benzonitrile 0.06
    trioctyl phosphate 0.19
    1-bromopropane 0.01
    gamma-valerolactone 8.27
    n-decanol 0.22
    triethyl phosphate 0.09
    4-methyl-2-pentanol 0.05
    propionitrile 0.11
    vinylene carbonate 0.28
    1,1,2-trichlorotrifluoroethane 4.47
    DMS 0.25
    cumene 0.0
    2-octanol 0.18
    2-hexanone 0.15
    octyl acetate 0.23
    limonene 0.01
    1,2-dimethoxyethane 3.55
    ethyl orthosilicate 0.09
    tributyl phosphate 0.16
    diacetone alcohol 0.92
    N,N-dimethylaniline 0.05
    acrylonitrile 0.27
    aniline 0.07
    1,3-propanediol 4.03
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.08
    2-methyl-cyclohexyl acetate 0.09
    tetrabutyl urea 0.4
    diisobutyl methanol 0.04
    2-phenylethanol 0.13
    styrene 0.01
    dioctyl adipate 0.27
    dimethyl sulfate 1.02
    ethyl butyrate 0.11
    methyl lactate 2.12
    butyl lactate 0.91
    diethyl carbonate 0.06
    propanediol butyl ether 4.04
    triethyl orthoformate 0.19
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.49
    morpholine 3.42
    tert-butylamine 0.03
    n-dodecanol 0.13
    dimethoxymethane 2.9
    ethylene carbonate 0.19
    cyrene 2.35
    2-ethoxyethyl acetate 0.85
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.15
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.81
    dimethyl isosorbide 2.29
    tetrachloroethylene 0.05
    eugenol 0.85
    triacetin 0.69
    span 80 2.0
    1,4-butanediol 0.96
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.11
    methyl formate 1.38
    2-methyl-1-butanol 0.24
    n-decane 0.01
    butyronitrile 0.08
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.41
    tetrahydropyran 0.3
    tert-amyl methyl ether 0.1
    2,5,8-trioxanonane 3.75
    1-hexene 0.01
    2-isopropoxyethanol 1.56
    2,2,2-trifluoroethanol 0.57
    methyl butyrate 0.18

    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