6-Demethoxytangeretin

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  • Identifiers

    CAS number
    6601-66-7

    Molecular formula
    C19H18O6

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 56.88%
    Spicy 48.72%
    Phenolic 48.67%
    Vanilla 46.92%
    Fruity 40.41%
    Floral 39.87%
    Powdery 37.61%
    Woody 33.73%
    Balsamic 33.01%
    Smoky 33.0%

     

    Flavor
    Bitter 84.17%
    Parsley 22.19%
    Eugenol 20.5%
    Lovage 19.9%
    Cedarleaf 19.8%
    Aniseed 19.64%
    Ripe apricot 19.39%
    Tarragon 19.27%
    Ethyl benzoate 19.26%
    Sweet-like 19.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.59 (neutral)

    Molecular weight
    342.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    609°C

    Flash point

    • 193.33 ˚C est.

  • Synonyms

    • 6-Demethoxytangeretin
    • 6601-66-7
    • 4',5,7,8-Tetramethoxyflavone
    • 6-Demethoxytangeritin
    • 5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
    • Tetra-O-methylisoscutellarein
    • 2U2U884D0P
    • 4H-1-Benzopyran-4-one, 5,7,8-trimethoxy-2-(4-methoxyphenyl)-
    • DTXSID20348077
    • RefChem:26010
    • DTXCID50299149
    • 5,7,8,4'-tetramethoxyflavone
    • 5,7,8-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • 5,7,8,4''-TETRAMETHOXYFLAVONE
    • 5,7,8-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • UNII-2U2U884D0P
    • Tetramethylisoscutellarein
    • tetramethyl-O-isoscutellarein
    • SCHEMBL987020
    • CHEMBL556454
    • orb1299173
    • Isoscutellarein tetramethyl ether
    • SCHEMBL31238014
    • CHEBI:228844
    • DDGJUTBQQURRGE-UHFFFAOYSA-N
    • HY-N4126
    • LMPK12111369
    • MSK158763
    • AKOS025287977
    • EBC-615886
    • FT65329
    • AC-34592
    • DA-60509
    • MS-25234
    • PD125557
    • CS-0032143
    • F21514
    • Q27255597
    • 5,7,8-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
    • 6601-66-7

  • Applications

    6-Demethoxytangeretin, CAS 6601-66-7, is typically encountered as a natural-product-derived flavonoid used primarily as an intermediate in the synthesis of flavonoid derivatives for pharmaceutical and chemical manufacturing; it is also investigated as a reagent with antioxidant activity in cosmetic formulations to support formulation stability and color integrity; in medicinal chemistry, it provides a scaffold for lead-structure exploration and structure–activity studies; in research and quality-control settings it can serve as an analytical reference material for citrus PMFs; and it may be evaluated for potential inclusion in nutraceutical or functional-food contexts under appropriate regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.77
    methanol 0.67
    isopropanol 0.76
    water 0.0
    ethyl acetate 8.5
    n-propanol 1.07
    acetone 7.05
    n-butanol 0.89
    acetonitrile 5.99
    DMF 17.98
    toluene 2.15
    isobutanol 1.07
    1,4-dioxane 10.52
    methyl acetate 11.94
    THF 27.37
    2-butanone 8.06
    n-pentanol 0.98
    sec-butanol 0.94
    n-hexane 0.13
    ethylene glycol 0.91
    NMP 47.3
    cyclohexane 0.36
    DMSO 29.66
    n-butyl acetate 5.42
    n-octanol 0.67
    chloroform 51.38
    n-propyl acetate 5.89
    acetic acid 10.94
    dichloromethane 74.47
    cyclohexanone 16.87
    propylene glycol 0.5
    isopropyl acetate 5.19
    DMAc 38.53
    2-ethoxyethanol 4.61
    isopentanol 1.31
    n-heptane 0.19
    ethyl formate 4.75
    1,2-dichloroethane 37.86
    n-hexanol 1.04
    2-methoxyethanol 6.47
    isobutyl acetate 3.84
    tetrachloromethane 3.44
    n-pentyl acetate 3.27
    transcutol 13.9
    n-heptanol 0.91
    ethylbenzene 1.52
    MIBK 3.72
    2-propoxyethanol 6.46
    tert-butanol 1.59
    MTBE 2.21
    2-butoxyethanol 4.16
    propionic acid 5.44
    o-xylene 2.14
    formic acid 3.69
    diethyl ether 2.34
    m-xylene 1.52
    p-xylene 2.5
    chlorobenzene 7.07
    dimethyl carbonate 11.12
    n-octane 0.08
    formamide 8.42
    cyclopentanone 26.68
    2-pentanone 4.77
    anisole 4.7
    cyclopentyl methyl ether 7.54
    gamma-butyrolactone 44.39
    1-methoxy-2-propanol 3.82
    pyridine 16.08
    3-pentanone 7.06
    furfural 38.59
    n-dodecane 0.1
    diethylene glycol 7.22
    diisopropyl ether 0.94
    tert-amyl alcohol 1.64
    acetylacetone 13.73
    n-hexadecane 0.12
    acetophenone 8.58
    methyl propionate 10.69
    isopentyl acetate 6.23
    trichloroethylene 88.99
    n-nonanol 0.87
    cyclohexanol 2.3
    benzyl alcohol 4.14
    2-ethylhexanol 1.49
    isooctanol 1.08
    dipropyl ether 2.65
    1,2-dichlorobenzene 10.17
    ethyl lactate 4.19
    propylene carbonate 17.18
    n-methylformamide 6.96
    2-pentanol 0.67
    n-pentane 0.09
    1-propoxy-2-propanol 4.12
    1-methoxy-2-propyl acetate 9.88
    2-(2-methoxypropoxy) propanol 7.04
    mesitylene 1.06
    ε-caprolactone 16.38
    p-cymene 1.97
    epichlorohydrin 59.32
    1,1,1-trichloroethane 19.24
    2-aminoethanol 1.13
    morpholine-4-carbaldehyde 31.55
    sulfolane 60.94
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 12.31
    n-hexyl acetate 3.16
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 6.16
    sec-butyl acetate 4.38
    tert-butyl acetate 6.46
    decalin 0.35
    glycerin 2.54
    diglyme 19.19
    acrylic acid 8.79
    isopropyl myristate 1.95
    n-butyric acid 4.68
    acetyl acetate 10.7
    di(2-ethylhexyl) phthalate 3.11
    ethyl propionate 7.1
    nitromethane 38.19
    1,2-diethoxyethane 5.03
    benzonitrile 6.49
    trioctyl phosphate 1.71
    1-bromopropane 6.28
    gamma-valerolactone 35.33
    n-decanol 0.7
    triethyl phosphate 6.53
    4-methyl-2-pentanol 0.77
    propionitrile 4.77
    vinylene carbonate 18.06
    1,1,2-trichlorotrifluoroethane 46.62
    DMS 10.83
    cumene 1.41
    2-octanol 0.58
    2-hexanone 4.52
    octyl acetate 2.24
    limonene 2.34
    1,2-dimethoxyethane 12.37
    ethyl orthosilicate 5.55
    tributyl phosphate 2.71
    diacetone alcohol 6.68
    N,N-dimethylaniline 4.34
    acrylonitrile 9.66
    aniline 4.43
    1,3-propanediol 1.87
    bromobenzene 7.59
    dibromomethane 27.11
    1,1,2,2-tetrachloroethane 53.61
    2-methyl-cyclohexyl acetate 7.47
    tetrabutyl urea 4.04
    diisobutyl methanol 1.28
    2-phenylethanol 4.68
    styrene 1.73
    dioctyl adipate 4.52
    dimethyl sulfate 29.14
    ethyl butyrate 6.32
    methyl lactate 5.97
    butyl lactate 3.13
    diethyl carbonate 6.61
    propanediol butyl ether 2.01
    triethyl orthoformate 5.98
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 8.12
    morpholine 11.95
    tert-butylamine 0.87
    n-dodecanol 0.6
    dimethoxymethane 11.48
    ethylene carbonate 13.25
    cyrene 12.78
    2-ethoxyethyl acetate 7.15
    2-ethylhexyl acetate 5.36
    1,2,4-trichlorobenzene 15.25
    4-methylpyridine 9.96
    dibutyl ether 1.69
    2,6-dimethyl-4-heptanol 1.28
    DEF 10.35
    dimethyl isosorbide 21.21
    tetrachloroethylene 33.01
    eugenol 7.52
    triacetin 7.9
    span 80 3.91
    1,4-butanediol 0.89
    1,1-dichloroethane 13.66
    2-methyl-1-pentanol 1.53
    methyl formate 8.21
    2-methyl-1-butanol 1.26
    n-decane 0.15
    butyronitrile 3.02
    3,7-dimethyl-1-octanol 1.11
    1-chlorooctane 0.82
    1-chlorotetradecane 0.45
    n-nonane 0.11
    undecane 0.12
    tert-butylcyclohexane 0.25
    cyclooctane 0.12
    cyclopentanol 3.62
    tetrahydropyran 6.61
    tert-amyl methyl ether 2.41
    2,5,8-trioxanonane 14.98
    1-hexene 0.56
    2-isopropoxyethanol 3.73
    2,2,2-trifluoroethanol 9.29
    methyl butyrate 8.06

    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