Sinensetin

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  • Identifiers

    CAS number
    2306-27-6

    Molecular formula
    C20H20O7

    SMILES
    COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Spicy 53.85%
    Vanilla 51.89%
    Phenolic 51.87%
    Sweet 44.76%
    Woody 41.22%
    Smoky 39.76%
    Floral 39.51%
    Powdery 37.95%
    Balsamic 37.19%
    Fruity 34.31%

     

    Flavor
    Bitter 82.53%
    Bland 22.83%
    Parsley 22.77%
    Eugenol 21.58%
    Cedarleaf 19.94%
    Lovage 19.46%
    Sweet-like 19.37%
    Ripe apricot 19.3%
    Carrot 19.26%
    Red fruit 18.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.04 (neutral)

    Molecular weight
    372.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    685°C

    Melting point expt.

    • 179 °C

    Flash point

    • 197.57 ˚C est.

  • Synonyms

    • Sinensetin
    • 2306-27-6
    • Pedalitin permethyl ether
    • 5,6,7,3',4'-Pentamethoxyflavone
    • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-
    • 3',4',5,6,7-Pentamethoxyflavone
    • 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one
    • 240LNZ51AT
    • DTXSID60177626
    • CHEBI:9159
    • RefChem:50031
    • DTXCID20100117
    • 803-609-7
    • 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one
    • MFCD00017421
    • 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
    • CHEMBL226507
    • 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one
    • SR-05000002257
    • UNII-240LNZ51AT
    • Sinensetin (Standard)
    • SCHEMBL621101
    • MEGxp0_000957
    • orb1302364
    • Sinensetin - Bio-X trade mark
    • SCHEMBL29549544
    • SCHEMBL29700880
    • HY-N0297R
    • HMS5086O17
    • HY-N0297
    • MSK40172
    • BDBM50338975
    • LMPK12111250
    • s9227
    • AKOS016009570
    • CCG-208419
    • CS-5907
    • EBC-460087
    • FS65393
    • Flavone, 5,6,7,3',4'-pentamethoxy
    • 3'',4'',5,6,7-pentamethoxy flavone
    • 5,6,7,3'',4'' -pentamethoxyflavone
    • NCGC00163623-01
    • NCGC00163623-02
    • AC-34822
    • BS-16575
    • BS300126
    • DB-046067
    • ST50331679
    • FLAVONE, 3',4',5,6,7-PENTAMETHOXY-
    • 306S276
    • Q3484909
    • SR-05000002257-2
    • SR-05000002257-3
    • BRD-K84996949-001-01-5
    • B0005-407401
    • 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one #
    • Sinensetin

  • Applications

    Sinensetin (CAS 2306-27-6) is a tetramethoxylated flavone derived from citrus peels and extracts, used primarily as an analytical standard and as a natural component in plant-derived product development. In the cosmetics and personal care industry, it is considered a potential ingredient in botanical extracts due to its natural antioxidant character and may serve as a constituent in plant-based cosmetic formulations. It is also studied as a synthetic intermediate for the preparation of other flavonoid derivatives in pharmaceutical research and organic synthesis. In quality control and authentication of citrus extracts, sinensetin is commonly used as a marker and reference standard in LC-MS/GC-MS analyses. Additionally, nutraceutical and agricultural research applications are being explored, with usage dependent on local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.41
    methanol 0.37
    isopropanol 0.4
    water 0.0
    ethyl acetate 5.88
    n-propanol 0.6
    acetone 3.94
    n-butanol 0.51
    acetonitrile 3.89
    DMF 9.67
    toluene 0.97
    isobutanol 0.61
    1,4-dioxane 6.04
    methyl acetate 6.89
    THF 12.98
    2-butanone 4.8
    n-pentanol 0.7
    sec-butanol 0.62
    n-hexane 0.15
    ethylene glycol 0.43
    NMP 22.93
    cyclohexane 0.31
    DMSO 15.79
    n-butyl acetate 4.24
    n-octanol 0.84
    chloroform 21.58
    n-propyl acetate 4.35
    acetic acid 4.69
    dichloromethane 30.43
    cyclohexanone 9.58
    propylene glycol 0.2
    isopropyl acetate 3.24
    DMAc 20.86
    2-ethoxyethanol 2.95
    isopentanol 0.74
    n-heptane 0.25
    ethyl formate 3.25
    1,2-dichloroethane 16.84
    n-hexanol 0.87
    2-methoxyethanol 3.03
    isobutyl acetate 2.57
    tetrachloromethane 2.61
    n-pentyl acetate 3.39
    transcutol 5.99
    n-heptanol 0.87
    ethylbenzene 0.96
    MIBK 2.48
    2-propoxyethanol 4.42
    tert-butanol 0.83
    MTBE 1.37
    2-butoxyethanol 3.11
    propionic acid 2.89
    o-xylene 1.17
    formic acid 1.97
    diethyl ether 1.86
    m-xylene 0.77
    p-xylene 1.6
    chlorobenzene 3.03
    dimethyl carbonate 6.04
    n-octane 0.15
    formamide 4.34
    cyclopentanone 13.97
    2-pentanone 3.15
    anisole 2.44
    cyclopentyl methyl ether 4.19
    gamma-butyrolactone 22.68
    1-methoxy-2-propanol 1.94
    pyridine 7.84
    3-pentanone 4.9
    furfural 19.06
    n-dodecane 0.14
    diethylene glycol 4.08
    diisopropyl ether 0.7
    tert-amyl alcohol 1.03
    acetylacetone 7.49
    n-hexadecane 0.18
    acetophenone 5.08
    methyl propionate 6.6
    isopentyl acetate 4.23
    trichloroethylene 36.75
    n-nonanol 1.02
    cyclohexanol 1.22
    benzyl alcohol 2.06
    2-ethylhexanol 1.27
    isooctanol 0.97
    dipropyl ether 2.15
    1,2-dichlorobenzene 5.33
    ethyl lactate 2.5
    propylene carbonate 8.88
    n-methylformamide 3.78
    2-pentanol 0.44
    n-pentane 0.1
    1-propoxy-2-propanol 2.86
    1-methoxy-2-propyl acetate 6.24
    2-(2-methoxypropoxy) propanol 4.57
    mesitylene 0.6
    ε-caprolactone 9.74
    p-cymene 1.46
    epichlorohydrin 26.62
    1,1,1-trichloroethane 9.71
    2-aminoethanol 0.53
    morpholine-4-carbaldehyde 15.97
    sulfolane 33.18
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 6.88
    n-hexyl acetate 3.3
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 4.09
    sec-butyl acetate 2.86
    tert-butyl acetate 3.75
    decalin 0.31
    glycerin 1.01
    diglyme 12.39
    acrylic acid 4.21
    isopropyl myristate 1.7
    n-butyric acid 2.46
    acetyl acetate 5.92
    di(2-ethylhexyl) phthalate 2.36
    ethyl propionate 5.04
    nitromethane 19.53
    1,2-diethoxyethane 4.0
    benzonitrile 3.69
    trioctyl phosphate 1.56
    1-bromopropane 3.91
    gamma-valerolactone 17.16
    n-decanol 0.8
    triethyl phosphate 4.57
    4-methyl-2-pentanol 0.48
    propionitrile 3.1
    vinylene carbonate 9.24
    1,1,2-trichlorotrifluoroethane 20.19
    DMS 7.45
    cumene 0.95
    2-octanol 0.67
    2-hexanone 3.61
    octyl acetate 2.16
    limonene 1.72
    1,2-dimethoxyethane 8.56
    ethyl orthosilicate 3.92
    tributyl phosphate 2.28
    diacetone alcohol 3.7
    N,N-dimethylaniline 2.48
    acrylonitrile 5.43
    aniline 1.8
    1,3-propanediol 0.87
    bromobenzene 3.22
    dibromomethane 12.61
    1,1,2,2-tetrachloroethane 22.61
    2-methyl-cyclohexyl acetate 4.96
    tetrabutyl urea 3.5
    diisobutyl methanol 0.95
    2-phenylethanol 2.88
    styrene 0.96
    dioctyl adipate 3.43
    dimethyl sulfate 16.59
    ethyl butyrate 4.46
    methyl lactate 2.86
    butyl lactate 2.57
    diethyl carbonate 4.27
    propanediol butyl ether 1.42
    triethyl orthoformate 4.17
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 5.67
    morpholine 6.12
    tert-butylamine 0.48
    n-dodecanol 0.66
    dimethoxymethane 6.18
    ethylene carbonate 7.2
    cyrene 7.78
    2-ethoxyethyl acetate 6.34
    2-ethylhexyl acetate 3.92
    1,2,4-trichlorobenzene 7.31
    4-methylpyridine 4.85
    dibutyl ether 1.74
    2,6-dimethyl-4-heptanol 0.95
    DEF 6.61
    dimethyl isosorbide 12.57
    tetrachloroethylene 16.58
    eugenol 5.12
    triacetin 6.3
    span 80 2.72
    1,4-butanediol 0.55
    1,1-dichloroethane 6.61
    2-methyl-1-pentanol 1.07
    methyl formate 4.57
    2-methyl-1-butanol 0.77
    n-decane 0.24
    butyronitrile 1.96
    3,7-dimethyl-1-octanol 1.02
    1-chlorooctane 1.13
    1-chlorotetradecane 0.53
    n-nonane 0.19
    undecane 0.18
    tert-butylcyclohexane 0.2
    cyclooctane 0.13
    cyclopentanol 1.84
    tetrahydropyran 3.65
    tert-amyl methyl ether 1.72
    2,5,8-trioxanonane 8.84
    1-hexene 0.51
    2-isopropoxyethanol 2.53
    2,2,2-trifluoroethanol 5.45
    methyl butyrate 5.35

    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