Isorhamnetin

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  • Identifiers

    CAS number
    480-19-3

    Molecular formula
    C16H12O7

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

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 60.73%
    Odorless 51.15%
    Burnt 40.26%
    Smoky 31.48%
    Vanilla 30.82%
    Spicy 28.68%
    Balsamic 25.84%
    Medicinal 25.64%
    Savory 21.54%
    Dry 20.53%

     

    Flavor
    Bitter 90.61%
    Odorless 24.71%
    Bland 22.75%
    Sweet-like 22.02%
    Eugenol 21.6%
    Parsley 20.86%
    Cedarleaf 20.58%
    Flat 20.05%
    Lovage 20.04%
    Very strong 20.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    10.19 (weak base)

    Molecular weight
    316.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1108°C

    Melting point expt.

    • 311 - 314 °C

    Flash point

    • 239.5 ˚C est.

  • Synonyms

    • Isorhamnetin
    • 480-19-3
    • 3-Methylquercetin
    • Isorhamnetol
    • Quercetin 3'-methyl ether
    • 3'-Methoxyquercetin
    • 3'-O-Methylquercetin
    • 3'-Methoxy-3,4',5,7-tetrahydroxyflavone
    • isorhamnetine
    • iso-rhamnetin
    • C.I. 75680
    • 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
    • 3,4',5,7-Tetrahydroxy-3'-methoxyflavone
    • 07X3IB4R4Z
    • 3,5,7,4'-Tetrahydroxy-3'-methoxyflavone
    • FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-
    • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
    • 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone
    • CHEBI:6052
    • DTXSID10197379
    • 3,4',5,7-tetrahydroxy-3'-methoxy-flavone
    • 3-methyl-quercetin
    • RefChem:5925
    • DTXCID70119870
    • 207-545-5
    • 3,6,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
    • 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
    • 3'-O-Methyl Quercetin
    • 3-Methylquercetine
    • 3,5,7-Trihydroxy-2-(4-hydroxy-3-metoxyphenyl)benzopyran-4-one
    • Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-
    • MFCD00017310
    • 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
    • CHEMBL379064
    • 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-
    • 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
    • CCRIS 3791
    • SR-05000002256
    • EINECS 207-545-5
    • BRN 0044723
    • isorhamntin
    • isorhmnetin
    • UNII-07X3IB4R4Z
    • isorhamnosidemnetin
    • 3-methoxyquercetin
    • IRH
    • Isorhamnetin (Standard)
    • quercetin-3'-methyl ether
    • Oprea1_145406
    • SCHEMBL19235
    • ISORHAMNETIN [USP-RS]
    • MEGxp0_001863
    • orb1304957
    • METHYLQUERCETIN, 3'-O-
    • SCHEMBL29377152
    • SCHEMBL29390102
    • SCHEMBL30385934
    • ACon1_000275
    • BDBM23409
    • HY-N0776R
    • Isorhamnetin, analytical standard
    • 3-Methylquercetin (Isorhamnetin)
    • MSK3253
    • WLZ4647
    • HMS5086D17
    • EX-A6804
    • HY-N0776
    • Isorhamnetin, >=95.0% (HPLC)
    • LMPK12110002
    • s9111
    • SBB067248
    • AKOS015905141
    • CCG-208422
    • CCG-208453
    • CS-5945
    • EBC-435042
    • FI09252
    • 3',5,7,4-tetrahydroxy-3-methoxyflavon
    • NCGC00163572-01
    • NCGC00163572-02
    • NCGC00163572-03
    • NCGC00180719-01
    • AC-20263
    • AS-71136
    • DB-051498
    • I1068
    • NS00003531
    • ST50309356
    • 480I193
    • ISORHAMNETIN (CONSTITUENT OF GINKGO) [DSC]
    • Q416138
    • SR-05000002256-2
    • SR-05000002256-3
    • BRD-K83977206-001-01-4
    • Isorhamnetin, primary pharmaceutical reference standard
    • Isorhamnetin, United States Pharmacopeia (USP) Reference Standard
    • 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-benzopyran-4-one
    • 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one #
    • Isorhamnetin

  • Applications

    Isorhamnetin (CAS 480-19-3) is a natural flavonol found in a variety of plant sources; in industry it is used as a natural antioxidant and serves as an ingredient in cosmetic and personal care formulations. It is also evaluated as a functional polyphenol in nutraceuticals/functional foods and has potential applications in certain food-related products. With its antioxidant properties and metal-chelating potential, isorhamnetin has been investigated as a stabilizing additive for polymers and for coatings, inks, and plastics to enhance oxidative stability. In pharmaceutical research and chem-bio studies, it is commonly used as a reference compound and phytochemical standard for SAR studies and evaluation of bioactivity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.96
    methanol 1.23
    isopropanol 1.13
    water 0.0
    ethyl acetate 1.28
    n-propanol 2.22
    acetone 0.1
    n-butanol 2.13
    acetonitrile 0.1
    DMF 13.67
    toluene 0.02
    isobutanol 1.01
    1,4-dioxane 0.97
    methyl acetate 0.84
    THF 11.0
    2-butanone 1.91
    n-pentanol 0.86
    sec-butanol 2.96
    n-hexane 0.0
    ethylene glycol 1.5
    NMP 19.1
    cyclohexane 0.0
    DMSO 73.04
    n-butyl acetate 1.24
    n-octanol 0.79
    chloroform 0.01
    n-propyl acetate 0.74
    acetic acid 1.02
    dichloromethane 0.01
    cyclohexanone 2.06
    propylene glycol 2.32
    isopropyl acetate 0.84
    DMAc 24.35
    2-ethoxyethanol 8.44
    isopentanol 1.65
    n-heptane 0.01
    ethyl formate 0.49
    1,2-dichloroethane 0.04
    n-hexanol 0.87
    2-methoxyethanol 28.8
    isobutyl acetate 0.2
    tetrachloromethane 0.0
    n-pentyl acetate 0.94
    transcutol 16.35
    n-heptanol 0.92
    ethylbenzene 0.03
    MIBK 0.85
    2-propoxyethanol 11.83
    tert-butanol 1.51
    MTBE 0.61
    2-butoxyethanol 4.89
    propionic acid 1.5
    o-xylene 0.04
    formic acid 1.64
    diethyl ether 0.44
    m-xylene 0.03
    p-xylene 0.03
    chlorobenzene 0.01
    dimethyl carbonate 1.15
    n-octane 0.01
    formamide 3.65
    cyclopentanone 4.82
    2-pentanone 1.29
    anisole 0.28
    cyclopentyl methyl ether 1.62
    gamma-butyrolactone 6.53
    1-methoxy-2-propanol 25.02
    pyridine 0.56
    3-pentanone 0.91
    furfural 3.73
    n-dodecane 0.01
    diethylene glycol 11.66
    diisopropyl ether 0.1
    tert-amyl alcohol 3.25
    acetylacetone 1.29
    n-hexadecane 0.01
    acetophenone 0.5
    methyl propionate 2.75
    isopentyl acetate 1.03
    trichloroethylene 0.07
    n-nonanol 0.92
    cyclohexanol 1.1
    benzyl alcohol 0.43
    2-ethylhexanol 0.62
    isooctanol 0.74
    dipropyl ether 0.77
    1,2-dichlorobenzene 0.02
    ethyl lactate 1.93
    propylene carbonate 1.24
    n-methylformamide 4.2
    2-pentanol 1.48
    n-pentane 0.01
    1-propoxy-2-propanol 8.52
    1-methoxy-2-propyl acetate 4.15
    2-(2-methoxypropoxy) propanol 6.04
    mesitylene 0.02
    ε-caprolactone 3.32
    p-cymene 0.09
    epichlorohydrin 4.42
    1,1,1-trichloroethane 0.01
    2-aminoethanol 3.33
    morpholine-4-carbaldehyde 13.3
    sulfolane 26.94
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.11
    n-hexyl acetate 1.4
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.52
    sec-butyl acetate 0.55
    tert-butyl acetate 1.33
    decalin 0.01
    glycerin 11.45
    diglyme 13.25
    acrylic acid 1.37
    isopropyl myristate 0.5
    n-butyric acid 2.17
    acetyl acetate 0.28
    di(2-ethylhexyl) phthalate 0.65
    ethyl propionate 1.2
    nitromethane 2.44
    1,2-diethoxyethane 1.95
    benzonitrile 0.16
    trioctyl phosphate 0.62
    1-bromopropane 0.05
    gamma-valerolactone 11.83
    n-decanol 0.62
    triethyl phosphate 0.96
    4-methyl-2-pentanol 0.62
    propionitrile 0.43
    vinylene carbonate 0.66
    1,1,2-trichlorotrifluoroethane 7.55
    DMS 1.15
    cumene 0.03
    2-octanol 0.65
    2-hexanone 0.84
    octyl acetate 0.82
    limonene 0.16
    1,2-dimethoxyethane 9.04
    ethyl orthosilicate 0.81
    tributyl phosphate 0.67
    diacetone alcohol 7.47
    N,N-dimethylaniline 0.34
    acrylonitrile 0.73
    aniline 0.24
    1,3-propanediol 7.34
    bromobenzene 0.01
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.13
    2-methyl-cyclohexyl acetate 0.8
    tetrabutyl urea 1.3
    diisobutyl methanol 0.46
    2-phenylethanol 0.71
    styrene 0.02
    dioctyl adipate 1.02
    dimethyl sulfate 4.75
    ethyl butyrate 1.2
    methyl lactate 6.12
    butyl lactate 2.16
    diethyl carbonate 0.63
    propanediol butyl ether 4.45
    triethyl orthoformate 1.33
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 1.87
    morpholine 5.39
    tert-butylamine 0.29
    n-dodecanol 0.38
    dimethoxymethane 7.63
    ethylene carbonate 0.53
    cyrene 5.57
    2-ethoxyethyl acetate 1.95
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.41
    dibutyl ether 0.61
    2,6-dimethyl-4-heptanol 0.46
    DEF 5.66
    dimethyl isosorbide 8.45
    tetrachloroethylene 0.07
    eugenol 2.36
    triacetin 1.84
    span 80 3.43
    1,4-butanediol 1.02
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.92
    methyl formate 1.31
    2-methyl-1-butanol 2.12
    n-decane 0.02
    butyronitrile 0.36
    3,7-dimethyl-1-octanol 0.63
    1-chlorooctane 0.12
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.84
    tetrahydropyran 0.73
    tert-amyl methyl ether 1.4
    2,5,8-trioxanonane 9.25
    1-hexene 0.03
    2-isopropoxyethanol 3.77
    2,2,2-trifluoroethanol 0.55
    methyl butyrate 1.55

    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