Desmosflavone

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  • Identifiers

    CAS number
    14004-56-9

    Molecular formula
    C18H16O4

    SMILES
    CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.97%
    Spicy 41.31%
    Sweet 39.53%
    Smoky 37.55%
    Burnt 36.49%
    Medicinal 32.78%
    Woody 29.77%
    Leathery 29.37%
    Dry 28.04%
    Animal 27.79%

     

    Flavor
    Bitter 84.68%
    Parsley 20.97%
    Cedarleaf 20.57%
    Eugenol 20.56%
    Lovage 20.29%
    Very strong 20.15%
    Indole 19.91%
    Ripe apricot 19.69%
    Flat 19.68%
    Thymol 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.35 (weak base)

    Molecular weight
    296.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    877°C

    Melting point expt.

    • 212 - 214 °C

    Flash point

    • 193.64 ˚C est.

  • Synonyms

    • Desmosflavone
    • 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one
    • RefChem:1083196
    • 5-Hydroxy-7-methoxy-6,8-dimethylflavone
    • 14004-56-9
    • NSC641479
    • 5-Hydroxy-7-methoxy-6,8-dimethylflavon
    • 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one
    • 5-Hydroxy-7-methoxy-6,8-di-C-methylflavone
    • 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one
    • CHEMBL51162
    • SCHEMBL31383399
    • DTXSID40327283
    • CHEBI:137835
    • LMPK12110174
    • NSC-641479
    • NCI60_014033
    • 5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-chromen-4-one
    • 14004-56-9

  • Applications

    Desmosflavone (CAS 14004-56-9) is typically considered an organic synthesis intermediate and may be used as an antioxidant and stabilizer in polymer, coating, and ink formulations; it can be evaluated for cosmetic and personal care applications as an antioxidant or fragrance-related ingredient; it may serve as an odorant component in perfumery; it may function as a chelating agent in specialized formulations; and it has potential as a synthetic intermediate in pharmaceutical or agrochemical research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.77
    methanol 1.62
    isopropanol 1.47
    water 0.0
    ethyl acetate 7.61
    n-propanol 2.15
    acetone 10.28
    n-butanol 2.19
    acetonitrile 3.79
    DMF 30.93
    toluene 6.37
    isobutanol 2.16
    1,4-dioxane 17.91
    methyl acetate 9.16
    THF 62.41
    2-butanone 11.59
    n-pentanol 2.02
    sec-butanol 1.73
    n-hexane 0.24
    ethylene glycol 0.77
    NMP 37.72
    cyclohexane 0.33
    DMSO 30.15
    n-butyl acetate 7.86
    n-octanol 1.05
    chloroform 36.25
    n-propyl acetate 6.76
    acetic acid 7.17
    dichloromethane 49.83
    cyclohexanone 23.63
    propylene glycol 0.69
    isopropyl acetate 6.91
    DMAc 38.55
    2-ethoxyethanol 6.46
    isopentanol 3.13
    n-heptane 0.2
    ethyl formate 4.33
    1,2-dichloroethane 35.65
    n-hexanol 2.72
    2-methoxyethanol 10.85
    isobutyl acetate 5.82
    tetrachloromethane 2.1
    n-pentyl acetate 5.58
    transcutol 20.36
    n-heptanol 1.76
    ethylbenzene 3.16
    MIBK 8.54
    2-propoxyethanol 11.85
    tert-butanol 3.35
    MTBE 5.17
    2-butoxyethanol 6.72
    propionic acid 4.23
    o-xylene 3.77
    formic acid 2.11
    diethyl ether 5.11
    m-xylene 3.86
    p-xylene 4.46
    chlorobenzene 11.14
    dimethyl carbonate 10.05
    n-octane 0.1
    formamide 4.86
    cyclopentanone 36.57
    2-pentanone 9.0
    anisole 8.92
    cyclopentyl methyl ether 15.28
    gamma-butyrolactone 37.37
    1-methoxy-2-propanol 8.18
    pyridine 21.44
    3-pentanone 9.59
    furfural 34.64
    n-dodecane 0.12
    diethylene glycol 9.84
    diisopropyl ether 1.78
    tert-amyl alcohol 3.12
    acetylacetone 17.57
    n-hexadecane 0.15
    acetophenone 10.67
    methyl propionate 9.64
    isopentyl acetate 9.63
    trichloroethylene 71.67
    n-nonanol 1.35
    cyclohexanol 3.66
    benzyl alcohol 6.52
    2-ethylhexanol 2.9
    isooctanol 2.05
    dipropyl ether 4.32
    1,2-dichlorobenzene 11.94
    ethyl lactate 4.41
    propylene carbonate 15.13
    n-methylformamide 7.62
    2-pentanol 1.47
    n-pentane 0.15
    1-propoxy-2-propanol 7.87
    1-methoxy-2-propyl acetate 14.05
    2-(2-methoxypropoxy) propanol 9.88
    mesitylene 2.02
    ε-caprolactone 16.2
    p-cymene 2.74
    epichlorohydrin 69.88
    1,1,1-trichloroethane 17.38
    2-aminoethanol 1.53
    morpholine-4-carbaldehyde 35.73
    sulfolane 58.98
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 20.34
    n-hexyl acetate 5.54
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 9.27
    sec-butyl acetate 5.79
    tert-butyl acetate 10.19
    decalin 0.48
    glycerin 2.72
    diglyme 26.75
    acrylic acid 5.78
    isopropyl myristate 3.05
    n-butyric acid 5.87
    acetyl acetate 7.55
    di(2-ethylhexyl) phthalate 4.91
    ethyl propionate 7.85
    nitromethane 20.22
    1,2-diethoxyethane 8.72
    benzonitrile 8.01
    trioctyl phosphate 2.83
    1-bromopropane 9.21
    gamma-valerolactone 42.23
    n-decanol 1.09
    triethyl phosphate 6.63
    4-methyl-2-pentanol 1.8
    propionitrile 4.83
    vinylene carbonate 15.53
    1,1,2-trichlorotrifluoroethane 32.59
    DMS 11.52
    cumene 2.44
    2-octanol 1.19
    2-hexanone 8.03
    octyl acetate 3.53
    limonene 3.33
    1,2-dimethoxyethane 20.87
    ethyl orthosilicate 6.29
    tributyl phosphate 3.78
    diacetone alcohol 12.1
    N,N-dimethylaniline 6.69
    acrylonitrile 8.71
    aniline 7.53
    1,3-propanediol 3.21
    bromobenzene 11.87
    dibromomethane 22.18
    1,1,2,2-tetrachloroethane 43.64
    2-methyl-cyclohexyl acetate 8.96
    tetrabutyl urea 5.94
    diisobutyl methanol 2.49
    2-phenylethanol 8.43
    styrene 3.72
    dioctyl adipate 5.9
    dimethyl sulfate 22.58
    ethyl butyrate 7.46
    methyl lactate 6.06
    butyl lactate 4.85
    diethyl carbonate 6.1
    propanediol butyl ether 3.37
    triethyl orthoformate 7.16
    p-tert-butyltoluene 2.52
    methyl 4-tert-butylbenzoate 11.1
    morpholine 19.26
    tert-butylamine 1.8
    n-dodecanol 0.91
    dimethoxymethane 21.11
    ethylene carbonate 11.55
    cyrene 13.75
    2-ethoxyethyl acetate 10.38
    2-ethylhexyl acetate 7.51
    1,2,4-trichlorobenzene 15.5
    4-methylpyridine 17.4
    dibutyl ether 2.82
    2,6-dimethyl-4-heptanol 2.49
    DEF 12.65
    dimethyl isosorbide 27.99
    tetrachloroethylene 24.56
    eugenol 11.11
    triacetin 8.25
    span 80 5.97
    1,4-butanediol 1.24
    1,1-dichloroethane 14.97
    2-methyl-1-pentanol 3.3
    methyl formate 7.62
    2-methyl-1-butanol 2.78
    n-decane 0.18
    butyronitrile 4.25
    3,7-dimethyl-1-octanol 1.92
    1-chlorooctane 1.19
    1-chlorotetradecane 0.63
    n-nonane 0.13
    undecane 0.14
    tert-butylcyclohexane 0.41
    cyclooctane 0.13
    cyclopentanol 5.0
    tetrahydropyran 12.89
    tert-amyl methyl ether 4.86
    2,5,8-trioxanonane 19.4
    1-hexene 1.38
    2-isopropoxyethanol 5.31
    2,2,2-trifluoroethanol 4.32
    methyl butyrate 9.18

    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