Didymin

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  • Identifiers

    CAS number
    14259-47-3

    Molecular formula
    C28H34O14

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.64%
    Sweet 42.17%
    Vanilla 39.3%
    Milky 22.93%
    Spicy 22.73%
    Creamy 22.15%
    Phenolic 21.9%
    Smoky 18.28%
    Balsamic 18.11%
    Bitter 18.05%

     

    Flavor
    Bitter 74.13%
    Bland 31.15%
    Odorless 28.02%
    Sweet-like 27.85%
    Fatty 21.28%
    Cedarleaf 20.9%
    Parsley 19.85%
    Naphthalic 19.56%
    Cauliflower 19.5%
    Lovage 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.63 (neutral)

    Molecular weight
    594.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4658°C

    Flash point

    • 243.62 ˚C est.

  • Synonyms

    • Didymin
    • 14259-47-3
    • Neoponcirin
    • Isosakuranetin-7-O-rutinoside
    • 02Q5OS3TU3
    • (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • DTXSID90931536
    • (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • RefChem:34921
    • DTXCID601770593
    • 238-139-6
    • 5-hydroxy-2-(4-methoxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • MFCD00151177
    • (S)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one
    • (S)-5-Hydroxy-2-(4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
    • Didymine
    • (S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one
    • Isosakuranetin-7-beta-rutinoside
    • Didymin (Standard)
    • EINECS 238-139-6
    • DIDYMIN [USP-RS]
    • Isosakuranetin 7-rutinoside
    • Isosakuranetin-7-rutinoside
    • Didymin, analytical standard
    • UNII-02Q5OS3TU3
    • SCHEMBL497764
    • orb1303748
    • EX-A8002X
    • HY-N2068R
    • CHEBI:176179
    • RMCRQBAILCLJGU-HIBKWJPLSA-N
    • CITRIFOLIOL-7-O-RUTINOSIDE
    • GLXC-13843
    • HY-N2068
    • MSK40168
    • s9235
    • AKOS016010158
    • CCG-270180
    • EBC-102119
    • FD74159
    • NCGC00163539-01
    • AC-34874
    • AS-75739
    • DA-62857
    • SY072746
    • CS-0018573
    • DidyminIsosakuranetin-7-O-rutinoside; Didymine
    • 259D473
    • SR-05000002279
    • SR-05000002279-2
    • Q63399321
    • Z3235033284
    • 4'-METHOXY-5,7-DIHYDROXYFLAVANONE 7-O-RUTINOSIDE
    • FLAVANONE, 5,7-DIHYDROXY-4'-METHOXY-, 7.BETA.-RUTINOSIDE
    • (2S)-5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one
    • (2S)-7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
    • 4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-, (2S)-
    • 4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-, (S)-
    • 14259-47-3

  • Applications

    Didymin, CAS 14259-47-3, is a natural flavonoid of interest for cosmetic and personal care applications due to its antioxidant properties and formulation-stabilizing potential; it is also evaluated as a synthetic intermediate or building block in various industrial systems and can serve as an antioxidant stabilizer in polymers, coatings, and inks; in food processing, didymin is considered as a natural antioxidant that may support processing and shelf life; in pharmaceutical research, it is explored as a potential lead compound for bioactive agents; agriculture and cleaning applications are also considered depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.17
    methanol 3.52
    isopropanol 0.06
    water 0.01
    ethyl acetate 0.17
    n-propanol 0.43
    acetone 0.26
    n-butanol 0.43
    acetonitrile 0.11
    DMF 12.92
    toluene 0.05
    isobutanol 0.14
    1,4-dioxane 1.53
    methyl acetate 0.3
    THF 1.83
    2-butanone 0.46
    n-pentanol 0.11
    sec-butanol 0.15
    n-hexane 0.0
    ethylene glycol 1.59
    NMP 12.0
    cyclohexane 0.0
    DMSO 13.11
    n-butyl acetate 0.05
    n-octanol 0.2
    chloroform 0.15
    n-propyl acetate 0.06
    acetic acid 1.89
    dichloromethane 0.17
    cyclohexanone 0.97
    propylene glycol 2.65
    isopropyl acetate 0.07
    DMAc 10.58
    2-ethoxyethanol 3.0
    isopentanol 0.15
    n-heptane 0.0
    ethyl formate 0.54
    1,2-dichloroethane 0.12
    n-hexanol 0.05
    2-methoxyethanol 13.12
    isobutyl acetate 0.03
    tetrachloromethane 0.02
    n-pentyl acetate 0.17
    transcutol 8.04
    n-heptanol 0.17
    ethylbenzene 0.01
    MIBK 0.11
    2-propoxyethanol 1.78
    tert-butanol 0.05
    MTBE 0.04
    2-butoxyethanol 1.87
    propionic acid 0.75
    o-xylene 0.03
    formic acid 7.99
    diethyl ether 0.08
    m-xylene 0.03
    p-xylene 0.01
    chlorobenzene 0.04
    dimethyl carbonate 0.63
    n-octane 0.0
    formamide 5.54
    cyclopentanone 1.73
    2-pentanone 0.3
    anisole 0.1
    cyclopentyl methyl ether 0.25
    gamma-butyrolactone 2.49
    1-methoxy-2-propanol 4.51
    pyridine 0.64
    3-pentanone 0.25
    furfural 4.21
    n-dodecane 0.0
    diethylene glycol 3.53
    diisopropyl ether 0.01
    tert-amyl alcohol 0.1
    acetylacetone 0.66
    n-hexadecane 0.0
    acetophenone 0.16
    methyl propionate 0.48
    isopentyl acetate 0.05
    trichloroethylene 0.35
    n-nonanol 0.21
    cyclohexanol 0.17
    benzyl alcohol 0.24
    2-ethylhexanol 0.03
    isooctanol 0.1
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.04
    ethyl lactate 0.39
    propylene carbonate 0.52
    n-methylformamide 5.71
    2-pentanol 0.08
    n-pentane 0.0
    1-propoxy-2-propanol 0.83
    1-methoxy-2-propyl acetate 0.37
    2-(2-methoxypropoxy) propanol 1.99
    mesitylene 0.01
    ε-caprolactone 1.06
    p-cymene 0.01
    epichlorohydrin 2.22
    1,1,1-trichloroethane 0.03
    2-aminoethanol 2.31
    morpholine-4-carbaldehyde 14.3
    sulfolane 8.93
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.34
    n-hexyl acetate 0.23
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.3
    sec-butyl acetate 0.03
    tert-butyl acetate 0.09
    decalin 0.0
    glycerin 12.88
    diglyme 5.92
    acrylic acid 1.65
    isopropyl myristate 0.06
    n-butyric acid 0.79
    acetyl acetate 0.15
    di(2-ethylhexyl) phthalate 0.19
    ethyl propionate 0.1
    nitromethane 4.46
    1,2-diethoxyethane 0.38
    benzonitrile 0.1
    trioctyl phosphate 0.13
    1-bromopropane 0.03
    gamma-valerolactone 11.71
    n-decanol 0.11
    triethyl phosphate 0.09
    4-methyl-2-pentanol 0.03
    propionitrile 0.14
    vinylene carbonate 0.81
    1,1,2-trichlorotrifluoroethane 7.41
    DMS 0.22
    cumene 0.01
    2-octanol 0.08
    2-hexanone 0.09
    octyl acetate 0.14
    limonene 0.02
    1,2-dimethoxyethane 2.84
    ethyl orthosilicate 0.08
    tributyl phosphate 0.1
    diacetone alcohol 0.62
    N,N-dimethylaniline 0.07
    acrylonitrile 0.37
    aniline 0.17
    1,3-propanediol 2.83
    bromobenzene 0.02
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.29
    2-methyl-cyclohexyl acetate 0.06
    tetrabutyl urea 0.26
    diisobutyl methanol 0.02
    2-phenylethanol 0.1
    styrene 0.01
    dioctyl adipate 0.22
    dimethyl sulfate 2.07
    ethyl butyrate 0.09
    methyl lactate 2.35
    butyl lactate 0.54
    diethyl carbonate 0.06
    propanediol butyl ether 2.92
    triethyl orthoformate 0.13
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.57
    morpholine 2.44
    tert-butylamine 0.01
    n-dodecanol 0.06
    dimethoxymethane 3.92
    ethylene carbonate 0.45
    cyrene 3.02
    2-ethoxyethyl acetate 0.6
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.07
    4-methylpyridine 0.31
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.02
    DEF 1.12
    dimethyl isosorbide 2.11
    tetrachloroethylene 0.2
    eugenol 0.8
    triacetin 0.72
    span 80 1.67
    1,4-butanediol 0.57
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.08
    methyl formate 3.92
    2-methyl-1-butanol 0.22
    n-decane 0.01
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.26
    tetrahydropyran 0.32
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 4.38
    1-hexene 0.0
    2-isopropoxyethanol 0.67
    2,2,2-trifluoroethanol 1.13
    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