Nodakenetin

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  • Identifiers

    CAS number
    495-32-9

    Molecular formula
    C14H14O4

    SMILES
    CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 51.35%
    Floral 43.35%
    Powdery 37.58%
    Vanilla 33.54%
    Creamy 32.4%
    Coumarinic 28.36%
    Animal 27.69%
    Hay 26.24%
    Musk 25.31%
    Phenolic 24.85%

     

    Flavor
    Bitter 76.77%
    Sweet 35.52%
    Floral 20.35%
    Herbal 19.76%
    Naphthalic 18.99%
    Cedarleaf 18.82%
    Orange blossom 18.58%
    Boiled vegetable 18.57%
    Benzyl acetate 18.54%
    Orange flower 18.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.06 (weak base)

    Molecular weight
    246.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    429°C

    Flash point

    • 204.51 ˚C est.

  • Synonyms

    • Nodakenetin
    • 495-32-9
    • (-)-Marmesin
    • Prangeferol
    • PKL4EW8LPQ
    • NODAKATIN
    • CHEBI:132623
    • (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one
    • (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
    • (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)chromen-7-one
    • RefChem:927862
    • GlyTouCan:G75458TV
    • G75458TV
    • Nodakenitin
    • (2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
    • (R)-2-(2-Hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
    • (2R)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
    • Nodakenetic
    • MFCD20274953
    • NANI
    • UNII-PKL4EW8LPQ
    • MLS001163827
    • orb1301290
    • (R)-(-)-NODAKENETIN
    • CHEMBL1464240
    • SCHEMBL29471037
    • DTXSID00964239
    • WLZ4677
    • HMS2871G16
    • HY-N2276
    • s3245
    • (2R)-2-(2-HYDROXYPROPAN-2-YL)-2H,3H,7H-FURO[3,2-G]CHROMEN-7-ONE
    • AKOS016023681
    • EBC-617253
    • AC-35120
    • DA-56239
    • MS-23485
    • SMR000539229
    • CS-0019605
    • C09278
    • Q27121472
    • (R)-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromen-7(3H)-one
    • 2-(2-Hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
    • (2R)-2-(2-Hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
    • (R,S)-2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (R)-
    • 7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (-)-
    • 7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (2R)-
    • 7H-Furo[3,2g][1]-benzopyran-7-one, (-2,3-dihydro-2-(1-hydroxy-1-hydroxymethylethyl)-, (R)
    • 495-32-9

  • Applications

    Nodakenetin (CAS 495-32-9) is a flavonoid isolated from certain medicinal plants and is primarily of interest as a research chemical with potential applications across several fields: in cosmetics/personal care as a candidate antioxidant and skin-conditioning ingredient; in pharmaceutical research as a natural product lead for discovery and development; in nutraceuticals/food processing as a bioactive constituent under evaluation for health-supporting formulations; and as a reference standard for analytical chemistry to support quality control and method development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 67.25
    methanol 94.38
    isopropanol 47.88
    water 0.39
    ethyl acetate 62.45
    n-propanol 48.3
    acetone 133.23
    n-butanol 41.74
    acetonitrile 77.63
    DMF 360.86
    toluene 7.14
    isobutanol 36.21
    1,4-dioxane 93.98
    methyl acetate 96.45
    THF 200.8
    2-butanone 116.38
    n-pentanol 31.03
    sec-butanol 39.64
    n-hexane 0.42
    ethylene glycol 45.82
    NMP 123.3
    cyclohexane 0.49
    DMSO 361.45
    n-butyl acetate 53.1
    n-octanol 13.55
    chloroform 90.32
    n-propyl acetate 61.41
    acetic acid 101.58
    dichloromethane 81.91
    cyclohexanone 72.85
    propylene glycol 44.48
    isopropyl acetate 45.76
    DMAc 400.97
    2-ethoxyethanol 143.19
    isopentanol 48.68
    n-heptane 0.47
    ethyl formate 55.08
    1,2-dichloroethane 55.65
    n-hexanol 29.59
    2-methoxyethanol 218.33
    isobutyl acetate 43.49
    tetrachloromethane 6.47
    n-pentyl acetate 29.5
    transcutol 353.83
    n-heptanol 16.95
    ethylbenzene 7.77
    MIBK 49.63
    2-propoxyethanol 131.45
    tert-butanol 62.07
    MTBE 44.91
    2-butoxyethanol 68.36
    propionic acid 57.41
    o-xylene 7.84
    formic acid 89.07
    diethyl ether 32.27
    m-xylene 7.02
    p-xylene 12.84
    chlorobenzene 17.85
    dimethyl carbonate 54.26
    n-octane 0.34
    formamide 160.7
    cyclopentanone 115.21
    2-pentanone 67.03
    anisole 48.41
    cyclopentyl methyl ether 39.63
    gamma-butyrolactone 134.27
    1-methoxy-2-propanol 144.34
    pyridine 64.0
    3-pentanone 47.15
    furfural 126.05
    n-dodecane 0.49
    diethylene glycol 146.46
    diisopropyl ether 9.67
    tert-amyl alcohol 52.88
    acetylacetone 90.85
    n-hexadecane 0.57
    acetophenone 55.15
    methyl propionate 65.93
    isopentyl acetate 54.25
    trichloroethylene 126.32
    n-nonanol 14.06
    cyclohexanol 24.2
    benzyl alcohol 49.81
    2-ethylhexanol 18.48
    isooctanol 16.13
    dipropyl ether 15.62
    1,2-dichlorobenzene 22.84
    ethyl lactate 50.21
    propylene carbonate 74.53
    n-methylformamide 144.64
    2-pentanol 24.54
    n-pentane 0.34
    1-propoxy-2-propanol 76.95
    1-methoxy-2-propyl acetate 83.08
    2-(2-methoxypropoxy) propanol 88.85
    mesitylene 4.85
    ε-caprolactone 77.7
    p-cymene 8.47
    epichlorohydrin 176.03
    1,1,1-trichloroethane 34.16
    2-aminoethanol 61.83
    morpholine-4-carbaldehyde 198.61
    sulfolane 146.51
    2,2,4-trimethylpentane 0.79
    2-methyltetrahydrofuran 77.84
    n-hexyl acetate 38.06
    isooctane 0.58
    2-(2-butoxyethoxy)ethanol 108.1
    sec-butyl acetate 41.34
    tert-butyl acetate 49.8
    decalin 0.97
    glycerin 88.49
    diglyme 195.29
    acrylic acid 63.87
    isopropyl myristate 16.77
    n-butyric acid 61.91
    acetyl acetate 43.99
    di(2-ethylhexyl) phthalate 25.04
    ethyl propionate 48.21
    nitromethane 204.16
    1,2-diethoxyethane 67.04
    benzonitrile 44.19
    trioctyl phosphate 16.51
    1-bromopropane 17.81
    gamma-valerolactone 178.91
    n-decanol 10.68
    triethyl phosphate 28.92
    4-methyl-2-pentanol 22.45
    propionitrile 50.26
    vinylene carbonate 74.8
    1,1,2-trichlorotrifluoroethane 160.98
    DMS 58.39
    cumene 7.69
    2-octanol 10.14
    2-hexanone 57.78
    octyl acetate 21.92
    limonene 9.0
    1,2-dimethoxyethane 189.81
    ethyl orthosilicate 26.53
    tributyl phosphate 23.86
    diacetone alcohol 84.37
    N,N-dimethylaniline 32.81
    acrylonitrile 72.41
    aniline 26.01
    1,3-propanediol 84.97
    bromobenzene 14.81
    dibromomethane 37.77
    1,1,2,2-tetrachloroethane 93.8
    2-methyl-cyclohexyl acetate 37.7
    tetrabutyl urea 30.94
    diisobutyl methanol 12.76
    2-phenylethanol 47.12
    styrene 8.98
    dioctyl adipate 29.73
    dimethyl sulfate 103.13
    ethyl butyrate 38.86
    methyl lactate 68.46
    butyl lactate 38.66
    diethyl carbonate 34.57
    propanediol butyl ether 66.5
    triethyl orthoformate 32.96
    p-tert-butyltoluene 8.13
    methyl 4-tert-butylbenzoate 47.4
    morpholine 136.99
    tert-butylamine 20.68
    n-dodecanol 8.06
    dimethoxymethane 158.14
    ethylene carbonate 60.14
    cyrene 77.3
    2-ethoxyethyl acetate 60.95
    2-ethylhexyl acetate 40.51
    1,2,4-trichlorobenzene 32.48
    4-methylpyridine 61.65
    dibutyl ether 16.05
    2,6-dimethyl-4-heptanol 12.76
    DEF 82.94
    dimethyl isosorbide 108.52
    tetrachloroethylene 49.13
    eugenol 56.38
    triacetin 58.84
    span 80 45.75
    1,4-butanediol 37.69
    1,1-dichloroethane 41.26
    2-methyl-1-pentanol 35.76
    methyl formate 110.38
    2-methyl-1-butanol 39.36
    n-decane 0.78
    butyronitrile 43.69
    3,7-dimethyl-1-octanol 19.4
    1-chlorooctane 5.42
    1-chlorotetradecane 2.43
    n-nonane 0.6
    undecane 0.59
    tert-butylcyclohexane 1.02
    cyclooctane 0.24
    cyclopentanol 27.77
    tetrahydropyran 51.16
    tert-amyl methyl ether 34.74
    2,5,8-trioxanonane 136.0
    1-hexene 3.54
    2-isopropoxyethanol 90.94
    2,2,2-trifluoroethanol 56.06
    methyl butyrate 64.85

    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