Luteone

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  • Identifiers

    CAS number
    41743-56-0

    Molecular formula
    C20H18O6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.38%
    Odorless 39.0%
    Spicy 36.31%
    Burnt 31.93%
    Smoky 29.71%
    Medicinal 29.14%
    Woody 26.01%
    Dry 22.91%
    Animal 22.11%
    Leathery 21.56%

     

    Flavor
    Bitter 94.01%
    Odorless 21.78%
    Cedarleaf 20.53%
    Lovage 19.6%
    Parsley 19.59%
    Nitrile 19.23%
    Sweet-like 18.94%
    Bland 18.91%
    Very strong 18.87%
    Eugenol 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    10.13 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    899°C

    Melting point expt.

    • 225 - 227 °C

    Flash point

    • 253.57 ˚C est.

  • Synonyms

    • Luteone
    • Luteone (isoflavone)
    • UNII-FU3E0232IF
    • FU3E0232IF
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • CHEBI:27917
    • DTXSID00194574
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-
    • 6-isopentenyl-2'-hydroxygenistein
    • RefChem:41762
    • DTXCID40117065
    • 41743-56-0
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
    • uncinanone A
    • Luteone?
    • CHEMBL549617
    • MEGxp0_000744
    • SCHEMBL1667408
    • ACon1_000606
    • GLXC-17705
    • HY-N3353
    • LMPK12050287
    • AKOS032948669
    • FS-9882
    • NCGC00168918-01
    • FL137885
    • DB-050801
    • 5,7,2',4'-Tetrahydroxy-6-prenylisoflavone
    • CS-0023971
    • H50602
    • Q6705431
    • BRD-K34029608-001-01-8
    • B0005-117275
    • 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 41743-56-0

  • Applications

    Luteone (CAS 41743-56-0) is commonly considered as an intermediate in organic synthesis; may be used as a solvent or co-solvent in manufacturing; may act as a stabilizer or processing aid in polymer formulations; may serve as a fragrance ingredient or fixative in perfumery and fragrance applications; and may be used as an additive in cleaning and household products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.79
    methanol 1.87
    isopropanol 1.99
    water 0.0
    ethyl acetate 1.66
    n-propanol 3.42
    acetone 3.78
    n-butanol 2.6
    acetonitrile 1.08
    DMF 34.62
    toluene 0.2
    isobutanol 2.12
    1,4-dioxane 6.2
    methyl acetate 3.47
    THF 53.77
    2-butanone 9.83
    n-pentanol 2.02
    sec-butanol 3.04
    n-hexane 0.01
    ethylene glycol 1.36
    NMP 35.18
    cyclohexane 0.01
    DMSO 151.31
    n-butyl acetate 1.84
    n-octanol 0.54
    chloroform 0.15
    n-propyl acetate 1.91
    acetic acid 5.02
    dichloromethane 0.16
    cyclohexanone 10.39
    propylene glycol 4.67
    isopropyl acetate 1.26
    DMAc 64.21
    2-ethoxyethanol 14.94
    isopentanol 2.38
    n-heptane 0.01
    ethyl formate 1.63
    1,2-dichloroethane 0.35
    n-hexanol 1.02
    2-methoxyethanol 40.19
    isobutyl acetate 1.17
    tetrachloromethane 0.03
    n-pentyl acetate 1.32
    transcutol 33.23
    n-heptanol 0.77
    ethylbenzene 0.13
    MIBK 2.08
    2-propoxyethanol 18.0
    tert-butanol 2.87
    MTBE 0.91
    2-butoxyethanol 7.12
    propionic acid 3.4
    o-xylene 0.15
    formic acid 2.28
    diethyl ether 0.52
    m-xylene 0.13
    p-xylene 0.2
    chlorobenzene 0.15
    dimethyl carbonate 2.05
    n-octane 0.0
    formamide 5.2
    cyclopentanone 27.21
    2-pentanone 3.41
    anisole 1.17
    cyclopentyl methyl ether 2.61
    gamma-butyrolactone 21.94
    1-methoxy-2-propanol 27.42
    pyridine 6.24
    3-pentanone 1.99
    furfural 12.74
    n-dodecane 0.01
    diethylene glycol 14.26
    diisopropyl ether 0.1
    tert-amyl alcohol 3.14
    acetylacetone 6.04
    n-hexadecane 0.01
    acetophenone 2.46
    methyl propionate 3.36
    isopentyl acetate 2.23
    trichloroethylene 1.11
    n-nonanol 0.69
    cyclohexanol 1.69
    benzyl alcohol 2.28
    2-ethylhexanol 0.66
    isooctanol 0.77
    dipropyl ether 0.71
    1,2-dichlorobenzene 0.17
    ethyl lactate 2.76
    propylene carbonate 4.28
    n-methylformamide 8.2
    2-pentanol 1.09
    n-pentane 0.01
    1-propoxy-2-propanol 10.23
    1-methoxy-2-propyl acetate 7.3
    2-(2-methoxypropoxy) propanol 10.21
    mesitylene 0.07
    ε-caprolactone 9.35
    p-cymene 0.16
    epichlorohydrin 26.21
    1,1,1-trichloroethane 0.21
    2-aminoethanol 4.3
    morpholine-4-carbaldehyde 31.79
    sulfolane 63.81
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 8.59
    n-hexyl acetate 1.74
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 12.53
    sec-butyl acetate 1.22
    tert-butyl acetate 2.22
    decalin 0.01
    glycerin 13.3
    diglyme 23.04
    acrylic acid 3.61
    isopropyl myristate 0.74
    n-butyric acid 3.96
    acetyl acetate 0.91
    di(2-ethylhexyl) phthalate 1.55
    ethyl propionate 1.64
    nitromethane 16.64
    1,2-diethoxyethane 3.32
    benzonitrile 1.13
    trioctyl phosphate 0.97
    1-bromopropane 0.16
    gamma-valerolactone 53.96
    n-decanol 0.49
    triethyl phosphate 1.33
    4-methyl-2-pentanol 0.69
    propionitrile 1.49
    vinylene carbonate 2.8
    1,1,2-trichlorotrifluoroethane 22.39
    DMS 2.37
    cumene 0.1
    2-octanol 0.43
    2-hexanone 3.51
    octyl acetate 1.16
    limonene 0.22
    1,2-dimethoxyethane 20.96
    ethyl orthosilicate 1.11
    tributyl phosphate 1.25
    diacetone alcohol 11.22
    N,N-dimethylaniline 0.93
    acrylonitrile 2.8
    aniline 1.33
    1,3-propanediol 9.03
    bromobenzene 0.09
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 1.2
    2-methyl-cyclohexyl acetate 2.11
    tetrabutyl urea 2.56
    diisobutyl methanol 0.47
    2-phenylethanol 2.02
    styrene 0.12
    dioctyl adipate 1.94
    dimethyl sulfate 7.58
    ethyl butyrate 1.54
    methyl lactate 6.86
    butyl lactate 3.26
    diethyl carbonate 0.98
    propanediol butyl ether 6.72
    triethyl orthoformate 1.8
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 3.74
    morpholine 19.37
    tert-butylamine 0.47
    n-dodecanol 0.33
    dimethoxymethane 13.01
    ethylene carbonate 2.12
    cyrene 10.99
    2-ethoxyethyl acetate 3.81
    2-ethylhexyl acetate 1.42
    1,2,4-trichlorobenzene 0.48
    4-methylpyridine 3.53
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.47
    DEF 6.13
    dimethyl isosorbide 17.18
    tetrachloroethylene 0.42
    eugenol 4.63
    triacetin 3.47
    span 80 5.55
    1,4-butanediol 2.06
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 2.0
    methyl formate 4.36
    2-methyl-1-butanol 2.64
    n-decane 0.01
    butyronitrile 1.24
    3,7-dimethyl-1-octanol 0.78
    1-chlorooctane 0.08
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 3.68
    tetrahydropyran 3.37
    tert-amyl methyl ether 1.1
    2,5,8-trioxanonane 16.2
    1-hexene 0.06
    2-isopropoxyethanol 7.57
    2,2,2-trifluoroethanol 1.22
    methyl butyrate 3.1

    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