(+)-Dihydrowighteone

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  • Identifiers

    CAS number
    108026-27-3

    Molecular formula
    C20H20O5

    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC=C(C=C3)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 52.99%
    Spicy 49.26%
    Sweet 36.29%
    Woody 33.01%
    Odorless 28.04%
    Balsamic 27.34%
    Smoky 27.24%
    Medicinal 26.24%
    Herbal 24.49%
    Dry 22.65%

     

    Flavor
    Bitter 90.8%
    Lovage 20.61%
    Cedarleaf 20.55%
    Parsley 19.57%
    Basil 18.69%
    Ripe apricot 18.48%
    Nitrile 18.44%
    Heather 18.25%
    Red fruit 18.2%
    Broom 18.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.83 (weak base)

    Molecular weight
    340.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    876°C

    Flash point

    • 230.15 ˚C est.

  • Synonyms

    • (+)-Dihydrowighteone
    • (+)-5,7,4'-Trihydroxy-6-prenylisoflavanone
    • 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • RefChem:67349
    • 108026-27-3
    • SCHEMBL13360710
    • CHEBI:186073
    • LMPK12050473
    • 108026-27-3

  • Applications

    (+)-Dihydrowighteone, CAS 108026-27-3, is typically employed as a chiral intermediate and building block in organic synthesis for pharmaceutical and agrochemical candidates; it serves as a basis for flavonoid-derivative synthesis in medicinal chemistry research; it can function as a precursor for more complex natural product-like molecules in academic and industrial settings; it is used as an analytical reference material or standard in method development and sample evaluation; and it shows potential as a specialty component for materials or polymer research at the laboratory scale, subject to regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.55
    methanol 75.66
    isopropanol 55.51
    water 0.03
    ethyl acetate 69.46
    n-propanol 43.74
    acetone 327.75
    n-butanol 37.13
    acetonitrile 74.91
    DMF 372.08
    toluene 9.97
    isobutanol 35.55
    1,4-dioxane 211.0
    methyl acetate 107.2
    THF 747.31
    2-butanone 183.24
    n-pentanol 30.06
    sec-butanol 33.93
    n-hexane 0.12
    ethylene glycol 20.23
    NMP 140.06
    cyclohexane 0.45
    DMSO 1163.44
    n-butyl acetate 26.28
    n-octanol 11.67
    chloroform 53.42
    n-propyl acetate 34.86
    acetic acid 96.49
    dichloromethane 34.68
    cyclohexanone 157.48
    propylene glycol 69.05
    isopropyl acetate 41.86
    DMAc 431.73
    2-ethoxyethanol 114.85
    isopentanol 37.63
    n-heptane 0.27
    ethyl formate 45.9
    1,2-dichloroethane 42.71
    n-hexanol 17.73
    2-methoxyethanol 302.59
    isobutyl acetate 22.5
    tetrachloromethane 3.17
    n-pentyl acetate 19.66
    transcutol 317.35
    n-heptanol 11.9
    ethylbenzene 3.84
    MIBK 53.17
    2-propoxyethanol 127.16
    tert-butanol 92.64
    MTBE 27.55
    2-butoxyethanol 49.89
    propionic acid 50.83
    o-xylene 5.69
    formic acid 34.84
    diethyl ether 20.17
    m-xylene 6.52
    p-xylene 6.39
    chlorobenzene 15.01
    dimethyl carbonate 70.12
    n-octane 0.16
    formamide 88.52
    cyclopentanone 322.62
    2-pentanone 107.13
    anisole 27.87
    cyclopentyl methyl ether 62.26
    gamma-butyrolactone 235.5
    1-methoxy-2-propanol 250.02
    pyridine 80.03
    3-pentanone 64.27
    furfural 125.37
    n-dodecane 0.37
    diethylene glycol 129.41
    diisopropyl ether 4.95
    tert-amyl alcohol 41.92
    acetylacetone 189.7
    n-hexadecane 0.44
    acetophenone 35.45
    methyl propionate 87.9
    isopentyl acetate 28.04
    trichloroethylene 105.93
    n-nonanol 12.47
    cyclohexanol 35.15
    benzyl alcohol 35.3
    2-ethylhexanol 10.49
    isooctanol 11.01
    dipropyl ether 14.36
    1,2-dichlorobenzene 13.06
    ethyl lactate 36.64
    propylene carbonate 66.28
    n-methylformamide 132.07
    2-pentanol 21.52
    n-pentane 0.13
    1-propoxy-2-propanol 79.97
    1-methoxy-2-propyl acetate 71.84
    2-(2-methoxypropoxy) propanol 69.02
    mesitylene 3.98
    ε-caprolactone 87.01
    p-cymene 4.21
    epichlorohydrin 312.73
    1,1,1-trichloroethane 29.93
    2-aminoethanol 47.29
    morpholine-4-carbaldehyde 203.33
    sulfolane 337.67
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 120.6
    n-hexyl acetate 27.46
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 95.04
    sec-butyl acetate 21.93
    tert-butyl acetate 52.58
    decalin 0.42
    glycerin 110.82
    diglyme 190.81
    acrylic acid 49.86
    isopropyl myristate 12.82
    n-butyric acid 71.98
    acetyl acetate 48.05
    di(2-ethylhexyl) phthalate 17.13
    ethyl propionate 32.43
    nitromethane 340.0
    1,2-diethoxyethane 60.83
    benzonitrile 29.92
    trioctyl phosphate 12.27
    1-bromopropane 9.16
    gamma-valerolactone 325.27
    n-decanol 9.48
    triethyl phosphate 16.98
    4-methyl-2-pentanol 15.35
    propionitrile 54.86
    vinylene carbonate 55.49
    1,1,2-trichlorotrifluoroethane 174.73
    DMS 41.94
    cumene 2.99
    2-octanol 7.56
    2-hexanone 50.93
    octyl acetate 17.08
    limonene 5.93
    1,2-dimethoxyethane 201.36
    ethyl orthosilicate 15.6
    tributyl phosphate 15.3
    diacetone alcohol 116.65
    N,N-dimethylaniline 16.97
    acrylonitrile 81.65
    aniline 32.93
    1,3-propanediol 94.88
    bromobenzene 11.71
    dibromomethane 14.49
    1,1,2,2-tetrachloroethane 95.11
    2-methyl-cyclohexyl acetate 22.66
    tetrabutyl urea 25.15
    diisobutyl methanol 9.29
    2-phenylethanol 28.74
    styrene 5.08
    dioctyl adipate 24.15
    dimethyl sulfate 122.43
    ethyl butyrate 22.31
    methyl lactate 90.69
    butyl lactate 28.39
    diethyl carbonate 17.6
    propanediol butyl ether 54.65
    triethyl orthoformate 21.93
    p-tert-butyltoluene 4.31
    methyl 4-tert-butylbenzoate 35.83
    morpholine 259.3
    tert-butylamine 17.3
    n-dodecanol 7.07
    dimethoxymethane 276.51
    ethylene carbonate 51.61
    cyrene 66.98
    2-ethoxyethyl acetate 43.65
    2-ethylhexyl acetate 18.06
    1,2,4-trichlorobenzene 22.29
    4-methylpyridine 61.66
    dibutyl ether 13.31
    2,6-dimethyl-4-heptanol 9.29
    DEF 83.09
    dimethyl isosorbide 118.78
    tetrachloroethylene 34.85
    eugenol 39.08
    triacetin 44.65
    span 80 42.21
    1,4-butanediol 32.84
    1,1-dichloroethane 35.68
    2-methyl-1-pentanol 24.27
    methyl formate 121.13
    2-methyl-1-butanol 29.54
    n-decane 0.52
    butyronitrile 37.51
    3,7-dimethyl-1-octanol 13.81
    1-chlorooctane 3.65
    1-chlorotetradecane 1.86
    n-nonane 0.35
    undecane 0.43
    tert-butylcyclohexane 0.4
    cyclooctane 0.19
    cyclopentanol 62.77
    tetrahydropyran 98.83
    tert-amyl methyl ether 18.3
    2,5,8-trioxanonane 143.23
    1-hexene 1.03
    2-isopropoxyethanol 70.85
    2,2,2-trifluoroethanol 30.93
    methyl butyrate 46.44

    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