3-Methoxyluteolin

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  • Identifiers

    CAS number
    1486-70-0

    Molecular formula
    C16H12O7

    SMILES
    COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Phenolic 59.87%
    Odorless 56.92%
    Burnt 39.03%
    Smoky 29.72%
    Spicy 25.92%
    Medicinal 25.03%
    Vanilla 24.26%
    Balsamic 21.86%
    Savory 21.07%
    Dry 19.01%

     

    Flavor
    Bitter 91.92%
    Odorless 25.53%
    Bland 23.25%
    Sweet-like 21.91%
    Eugenol 21.08%
    Cedarleaf 20.69%
    Parsley 20.66%
    Very strong 20.02%
    Lovage 19.95%
    Flat 19.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    10.36 (weak base)

    Molecular weight
    316.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    833°C

    Flash point

    • 238.48 ˚C est.

  • Synonyms

    • 3-O-Methylquercetin
    • 1486-70-0
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one
    • 3',4',5,7-Tetrahydroxy-3-methoxyflavone
    • 3-Methylquercetol
    • Quercetin-3-O-methyl ether
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one
    • 3-methoxyluteolin
    • 3-Methoxy-3',4',5,7-tetrahydroxyflavone
    • 3-Methoxy-5,7,3',4'-tetrahydroxyflavone
    • 7J92C373RH
    • NSC-154016
    • 5,7,3',4'-Tetrahydroxy-3-methoxyflavone
    • METHYLQUERCETIN, 3-O-
    • CHEBI:16860
    • QUERCETIN 3-MONOMETHYL ETHER
    • RefChem:25912
    • Quercetin 3-methyl ether
    • 3-O-Methyl Quercetin
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
    • Quercetin-3-methyl ether
    • C16H12O7
    • MFCD00210588
    • CHEMBL163316
    • Flavone, 3',4',5,7-tetrahydroxy-3-methoxy-
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one
    • Quercetin 3-O-methyl ether
    • 1195659-35-8
    • NSC 154016
    • quercetin-3-O-methyl
    • Oprea1_264124
    • MLS000877018
    • SCHEMBL380558
    • UNII-7J92C373RH
    • 3-O-MQ
    • MEGxp0_000771
    • orb1297495
    • SCHEMBL29897544
    • ACon1_000818
    • cid_5280681
    • DTXSID20164032
    • GLXC-16648
    • HMS2271J03
    • HY-N1860
    • TNP00037
    • BDBM50240896
    • LMPK12112729
    • NSC154016
    • AKOS015999072
    • EBC-465061
    • FM25555
    • 3-O-Methylquercetin, >=97% (HPLC)
    • NCGC00017391-01
    • NCGC00017391-02
    • NCGC00017391-03
    • NCGC00142365-01
    • DA-60282
    • Flavone,4',5,7-tetrahydroxy-3-methoxy-
    • MS-24652
    • PD150612
    • SMR000440662
    • CS-0017729
    • NS00097338
    • 3'',4'',5,7-tetrahydroxy-3-methoxyflavone
    • 3',4',5',7'-Tetrahydroxy-3-methoxyflavone
    • 5,7,3' ,4' -Tetrahydroxy-3-methoxyflavone
    • C04443
    • E87133
    • Q23068616
    • 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-
    • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one)
    • 1486-70-0

  • Applications

    3-Methoxyluteolin (CAS 1486-70-0) is primarily used as an intermediate in organic synthesis to construct flavonoid derivatives for medicinal chemistry research. It serves as a building block for libraries of bioactive flavonoids and related compounds studied in pharmaceutical and agrochemical discovery. In cosmetics and personal care, it may be used as a precursor for antioxidant-active ingredients or cosmetic derivatives. In industrial manufacturing, it can function as a starting material for synthesizing functional materials and specialty chemicals. It is also used as a reference compound for analytical method development and quality control of flavonoid-related products and formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.42
    methanol 1.55
    isopropanol 1.38
    water 0.0
    ethyl acetate 1.1
    n-propanol 2.78
    acetone 0.3
    n-butanol 2.84
    acetonitrile 0.17
    DMF 17.26
    toluene 0.04
    isobutanol 1.35
    1,4-dioxane 1.56
    methyl acetate 0.94
    THF 17.76
    2-butanone 2.66
    n-pentanol 1.57
    sec-butanol 3.2
    n-hexane 0.01
    ethylene glycol 1.77
    NMP 23.53
    cyclohexane 0.01
    DMSO 113.44
    n-butyl acetate 1.37
    n-octanol 1.36
    chloroform 0.01
    n-propyl acetate 1.1
    acetic acid 1.4
    dichloromethane 0.01
    cyclohexanone 3.86
    propylene glycol 2.93
    isopropyl acetate 0.78
    DMAc 28.48
    2-ethoxyethanol 11.55
    isopentanol 2.11
    n-heptane 0.02
    ethyl formate 0.76
    1,2-dichloroethane 0.05
    n-hexanol 1.35
    2-methoxyethanol 34.2
    isobutyl acetate 0.33
    tetrachloromethane 0.0
    n-pentyl acetate 1.28
    transcutol 21.68
    n-heptanol 1.44
    ethylbenzene 0.05
    MIBK 1.03
    2-propoxyethanol 14.5
    tert-butanol 1.83
    MTBE 0.51
    2-butoxyethanol 6.91
    propionic acid 1.73
    o-xylene 0.06
    formic acid 2.1
    diethyl ether 0.44
    m-xylene 0.05
    p-xylene 0.05
    chlorobenzene 0.02
    dimethyl carbonate 1.1
    n-octane 0.01
    formamide 4.82
    cyclopentanone 8.22
    2-pentanone 1.8
    anisole 0.37
    cyclopentyl methyl ether 2.08
    gamma-butyrolactone 9.18
    1-methoxy-2-propanol 27.08
    pyridine 1.13
    3-pentanone 1.05
    furfural 5.34
    n-dodecane 0.01
    diethylene glycol 14.44
    diisopropyl ether 0.09
    tert-amyl alcohol 3.19
    acetylacetone 1.8
    n-hexadecane 0.02
    acetophenone 0.82
    methyl propionate 2.52
    isopentyl acetate 1.19
    trichloroethylene 0.07
    n-nonanol 1.49
    cyclohexanol 1.73
    benzyl alcohol 0.88
    2-ethylhexanol 0.88
    isooctanol 1.07
    dipropyl ether 0.84
    1,2-dichlorobenzene 0.03
    ethyl lactate 2.41
    propylene carbonate 1.73
    n-methylformamide 5.61
    2-pentanol 1.61
    n-pentane 0.01
    1-propoxy-2-propanol 9.64
    1-methoxy-2-propyl acetate 4.17
    2-(2-methoxypropoxy) propanol 7.54
    mesitylene 0.03
    ε-caprolactone 4.91
    p-cymene 0.12
    epichlorohydrin 5.87
    1,1,1-trichloroethane 0.01
    2-aminoethanol 4.0
    morpholine-4-carbaldehyde 17.46
    sulfolane 30.56
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.1
    n-hexyl acetate 1.96
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.4
    sec-butyl acetate 0.64
    tert-butyl acetate 1.25
    decalin 0.01
    glycerin 12.52
    diglyme 16.29
    acrylic acid 1.78
    isopropyl myristate 0.66
    n-butyric acid 2.61
    acetyl acetate 0.26
    di(2-ethylhexyl) phthalate 0.94
    ethyl propionate 1.24
    nitromethane 3.25
    1,2-diethoxyethane 2.25
    benzonitrile 0.31
    trioctyl phosphate 0.9
    1-bromopropane 0.05
    gamma-valerolactone 19.13
    n-decanol 1.01
    triethyl phosphate 0.93
    4-methyl-2-pentanol 0.76
    propionitrile 0.57
    vinylene carbonate 0.97
    1,1,2-trichlorotrifluoroethane 9.03
    DMS 1.23
    cumene 0.05
    2-octanol 0.99
    2-hexanone 1.48
    octyl acetate 1.08
    limonene 0.2
    1,2-dimethoxyethane 12.33
    ethyl orthosilicate 0.79
    tributyl phosphate 0.94
    diacetone alcohol 8.52
    N,N-dimethylaniline 0.45
    acrylonitrile 1.04
    aniline 0.38
    1,3-propanediol 8.91
    bromobenzene 0.01
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.12
    2-methyl-cyclohexyl acetate 0.93
    tetrabutyl urea 1.86
    diisobutyl methanol 0.54
    2-phenylethanol 1.17
    styrene 0.03
    dioctyl adipate 1.27
    dimethyl sulfate 4.07
    ethyl butyrate 1.27
    methyl lactate 6.24
    butyl lactate 2.95
    diethyl carbonate 0.61
    propanediol butyl ether 6.89
    triethyl orthoformate 1.3
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 2.23
    morpholine 8.04
    tert-butylamine 0.33
    n-dodecanol 0.61
    dimethoxymethane 8.58
    ethylene carbonate 0.79
    cyrene 7.35
    2-ethoxyethyl acetate 2.31
    2-ethylhexyl acetate 0.8
    1,2,4-trichlorobenzene 0.07
    4-methylpyridine 0.75
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 0.54
    DEF 6.32
    dimethyl isosorbide 9.9
    tetrachloroethylene 0.06
    eugenol 3.0
    triacetin 2.17
    span 80 4.88
    1,4-butanediol 1.63
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 1.48
    methyl formate 1.95
    2-methyl-1-butanol 2.59
    n-decane 0.03
    butyronitrile 0.55
    3,7-dimethyl-1-octanol 0.95
    1-chlorooctane 0.17
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 2.68
    tetrahydropyran 1.21
    tert-amyl methyl ether 1.14
    2,5,8-trioxanonane 11.4
    1-hexene 0.05
    2-isopropoxyethanol 5.16
    2,2,2-trifluoroethanol 0.64
    methyl butyrate 2.06

    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