Natsudaidain

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  • Identifiers

    CAS number
    35154-55-3

    Molecular formula
    C21H22O9

    SMILES
    COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 51.86%
    Spicy 50.38%
    Vanilla 46.88%
    Fruity 40.87%
    Woody 40.83%
    Smoky 38.94%
    Balsamic 38.53%
    Burnt 37.77%
    Floral 34.3%
    Powdery 32.85%

     

    Flavor
    Bitter 79.23%
    Bland 26.96%
    Parsley 22.79%
    Eugenol 22.36%
    Sweet-like 20.29%
    Cedarleaf 19.92%
    Carrot 19.3%
    Ham 19.19%
    Lovage 19.14%
    Ripe apricot 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.37 (neutral)

    Molecular weight
    418.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1090°C

    Melting point expt.

    • 154 - 156 °C

    Flash point

    • 205.59 ˚C est.

  • Synonyms

    • Natsudaidain
    • 35154-55-3
    • 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxychromen-4-one
    • 28441ILD21
    • 3-Hydroxy-3',4',5,6,7,8-hexamethoxyflavone
    • DTXSID00188655
    • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-
    • RefChem:43925
    • DTXCID60111146
    • NATSUDAIDAI
    • UNII-28441ILD21
    • 3-hydroxy-5,6,7,8,3',4'-hexamethoxyflavone
    • 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
    • SCHEMBL890712
    • CHEMBL225702
    • orb1991740
    • SCHEMBL29486468
    • SCHEMBL30402919
    • SCHEMBL31237778
    • CHEBI:191571
    • HY-N12254
    • LMPK12113344
    • 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-4H-chromen-4-one
    • AKOS040735020
    • FS-7396
    • 3',4',5,6,7,8-Hexamethoxyflavonol
    • DA-76002
    • CS-0896716
    • G88877
    • 3-monohydroxy-5,6,7,8,3',4'-hexamethoxyflavone
    • Q3337057
    • 35154-55-3

  • Applications

    Natsudaidain is a plant-derived flavonoid that is commonly evaluated as an antioxidant and as a synthetic intermediate in flavonoid chemistry; in cosmetics/personal care it may be used as an antioxidant ingredient in skin-care formulations; in pharmaceutical research it is often explored as a starting material for flavonoid derivatives; in polymers/plastics and coatings/inks it is investigated as a stabilizer or antioxidant to improve oxidative stability; in analytical chemistry it is used as a reference standard for method development and quantification.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.25
    methanol 0.25
    isopropanol 0.22
    water 0.0
    ethyl acetate 2.67
    n-propanol 0.36
    acetone 1.35
    n-butanol 0.29
    acetonitrile 1.16
    DMF 5.24
    toluene 0.37
    isobutanol 0.33
    1,4-dioxane 2.22
    methyl acetate 3.12
    THF 4.44
    2-butanone 2.19
    n-pentanol 0.33
    sec-butanol 0.36
    n-hexane 0.06
    ethylene glycol 0.31
    NMP 17.79
    cyclohexane 0.13
    DMSO 5.54
    n-butyl acetate 1.94
    n-octanol 0.4
    chloroform 5.83
    n-propyl acetate 1.57
    acetic acid 2.75
    dichloromethane 7.87
    cyclohexanone 4.27
    propylene glycol 0.16
    isopropyl acetate 1.39
    DMAc 10.39
    2-ethoxyethanol 1.39
    isopentanol 0.35
    n-heptane 0.12
    ethyl formate 1.52
    1,2-dichloroethane 4.61
    n-hexanol 0.44
    2-methoxyethanol 1.63
    isobutyl acetate 0.84
    tetrachloromethane 1.07
    n-pentyl acetate 1.71
    transcutol 2.97
    n-heptanol 0.49
    ethylbenzene 0.36
    MIBK 0.91
    2-propoxyethanol 2.28
    tert-butanol 0.4
    MTBE 0.57
    2-butoxyethanol 1.69
    propionic acid 1.81
    o-xylene 0.53
    formic acid 1.65
    diethyl ether 0.76
    m-xylene 0.31
    p-xylene 0.52
    chlorobenzene 0.97
    dimethyl carbonate 3.63
    n-octane 0.07
    formamide 3.02
    cyclopentanone 6.74
    2-pentanone 1.34
    anisole 0.76
    cyclopentyl methyl ether 1.63
    gamma-butyrolactone 11.81
    1-methoxy-2-propanol 1.12
    pyridine 3.33
    3-pentanone 2.13
    furfural 9.55
    n-dodecane 0.05
    diethylene glycol 2.1
    diisopropyl ether 0.27
    tert-amyl alcohol 0.56
    acetylacetone 3.11
    n-hexadecane 0.06
    acetophenone 1.99
    methyl propionate 3.53
    isopentyl acetate 1.84
    trichloroethylene 11.44
    n-nonanol 0.47
    cyclohexanol 0.66
    benzyl alcohol 0.85
    2-ethylhexanol 0.56
    isooctanol 0.46
    dipropyl ether 0.87
    1,2-dichlorobenzene 1.76
    ethyl lactate 1.18
    propylene carbonate 4.72
    n-methylformamide 2.43
    2-pentanol 0.26
    n-pentane 0.06
    1-propoxy-2-propanol 1.51
    1-methoxy-2-propyl acetate 3.19
    2-(2-methoxypropoxy) propanol 2.16
    mesitylene 0.23
    ε-caprolactone 4.83
    p-cymene 0.6
    epichlorohydrin 9.3
    1,1,1-trichloroethane 2.88
    2-aminoethanol 0.35
    morpholine-4-carbaldehyde 9.04
    sulfolane 18.34
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 2.64
    n-hexyl acetate 1.57
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 1.98
    sec-butyl acetate 1.06
    tert-butyl acetate 1.6
    decalin 0.12
    glycerin 0.72
    diglyme 5.61
    acrylic acid 2.87
    isopropyl myristate 0.69
    n-butyric acid 1.47
    acetyl acetate 2.88
    di(2-ethylhexyl) phthalate 1.04
    ethyl propionate 1.9
    nitromethane 9.52
    1,2-diethoxyethane 1.59
    benzonitrile 1.25
    trioctyl phosphate 0.76
    1-bromopropane 1.24
    gamma-valerolactone 8.93
    n-decanol 0.35
    triethyl phosphate 1.97
    4-methyl-2-pentanol 0.22
    propionitrile 1.12
    vinylene carbonate 4.67
    1,1,2-trichlorotrifluoroethane 11.47
    DMS 3.86
    cumene 0.33
    2-octanol 0.35
    2-hexanone 1.27
    octyl acetate 0.92
    limonene 0.75
    1,2-dimethoxyethane 3.15
    ethyl orthosilicate 1.61
    tributyl phosphate 1.01
    diacetone alcohol 1.84
    N,N-dimethylaniline 0.95
    acrylonitrile 2.19
    aniline 0.77
    1,3-propanediol 0.53
    bromobenzene 0.98
    dibromomethane 3.46
    1,1,2,2-tetrachloroethane 7.58
    2-methyl-cyclohexyl acetate 1.95
    tetrabutyl urea 1.61
    diisobutyl methanol 0.4
    2-phenylethanol 1.31
    styrene 0.32
    dioctyl adipate 1.43
    dimethyl sulfate 10.09
    ethyl butyrate 1.73
    methyl lactate 1.97
    butyl lactate 1.44
    diethyl carbonate 1.71
    propanediol butyl ether 0.87
    triethyl orthoformate 1.68
    p-tert-butyltoluene 0.52
    methyl 4-tert-butylbenzoate 2.92
    morpholine 2.7
    tert-butylamine 0.22
    n-dodecanol 0.27
    dimethoxymethane 2.89
    ethylene carbonate 3.31
    cyrene 3.86
    2-ethoxyethyl acetate 3.11
    2-ethylhexyl acetate 1.75
    1,2,4-trichlorobenzene 2.73
    4-methylpyridine 2.12
    dibutyl ether 0.61
    2,6-dimethyl-4-heptanol 0.4
    DEF 3.75
    dimethyl isosorbide 6.28
    tetrachloroethylene 5.98
    eugenol 2.41
    triacetin 3.02
    span 80 1.42
    1,4-butanediol 0.29
    1,1-dichloroethane 1.84
    2-methyl-1-pentanol 0.44
    methyl formate 2.6
    2-methyl-1-butanol 0.41
    n-decane 0.09
    butyronitrile 0.7
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.39
    1-chlorotetradecane 0.19
    n-nonane 0.08
    undecane 0.07
    tert-butylcyclohexane 0.08
    cyclooctane 0.06
    cyclopentanol 0.98
    tetrahydropyran 1.34
    tert-amyl methyl ether 0.8
    2,5,8-trioxanonane 3.91
    1-hexene 0.19
    2-isopropoxyethanol 1.14
    2,2,2-trifluoroethanol 3.07
    methyl butyrate 2.09

    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