Chrysoeriol

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  • Identifiers

    CAS number
    491-71-4

    Molecular formula
    C16H12O6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 62.43%
    Odorless 43.82%
    Burnt 37.07%
    Vanilla 35.4%
    Smoky 30.98%
    Spicy 30.22%
    Balsamic 27.87%
    Medicinal 27.82%
    Sweet 27.33%
    Creamy 25.13%

     

    Flavor
    Bitter 91.28%
    Odorless 22.62%
    Sweet-like 21.26%
    Eugenol 21.09%
    Parsley 21.0%
    Cedarleaf 20.63%
    Bland 20.41%
    Lovage 20.27%
    Very strong 20.26%
    Curry 20.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.61 (weak base)

    Molecular weight
    300.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    728°C

    Melting point expt.

    • 330 - 331 °C

    Flash point

    • 224.34 ˚C est.

  • Synonyms

    • Chrysoeriol
    • 491-71-4
    • Chryseriol
    • 3'-Methoxyapigenin
    • Luteolin 3'-methyl ether
    • 3'-O-Methylluteolin
    • 4',5,7-trihydroxy-3'-methoxyflavone
    • Chrysoriol
    • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
    • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
    • 3'-Methoxy-4',5,7-trihydroxyflavone
    • CRESOROL
    • Q813145M20
    • CHEBI:16514
    • DTXSID60197687
    • RefChem:32513
    • DTXCID20120178
    • 207-742-6
    • 3'-O-Methyluteolin
    • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
    • 5,7,4'-Trihydroxy-3'-methoxyflavone
    • MFCD00016780
    • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone
    • CHEMBL214321
    • Chrysoeriol (>90%)
    • 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
    • EINECS 207-742-6
    • BRN 0295004
    • Scoparol
    • Chrysoeriol?
    • CCRIS 9338
    • UNII-Q813145M20
    • 3''-Methoxyapigenin
    • Chrysoeriol (Scoparol)
    • Chrysoeriol (Standard)
    • Luteolin 3''-methyl ether
    • FLAVONE, 4',5,7-TRIHYDROXY-3'-METHOXY-
    • MLS001048958
    • SCHEMBL293757
    • orb1297426
    • SCHEMBL29411724
    • SCHEMBL30331803
    • cid_5280666
    • HMS2271C08
    • AC9701
    • BDBM50241084
    • LMPK12110799
    • NSC732318
    • 5,7,4'-trihydroxy 3-methoxyflavone
    • AKOS004110683
    • EBC-461054
    • FC20423
    • HY-121471R
    • NSC-732318
    • 3'-Methoxy-4',5,7-trihydroxyfl avone
    • 4',5,7-Trihydroxy-3'-methoxy-Flavone
    • NCGC00163527-01
    • 4'',5,7-trihydroxy-3''-methoxyflavone
    • MS-24322
    • SMR000386981
    • ST077089
    • SY252786
    • 2-(5-methoxy,7-dihydroxy-benzpyran-4-one
    • DB-333932
    • HY-121471
    • CS-0082151
    • NS00031865
    • 3?-METHOXY-4?,5,7-TRIHYDROXYFLAVONE
    • C04293
    • AH-214/21165012
    • EN300-17991263
    • SR-01000758948
    • Q2967432
    • SR-01000758948-3
    • 2-(5-methoxy,4-hydroxyphenyl)5,7-dihydroxy-benzpyran-4-one
    • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI
    • 3 inverted exclamation mark -Methoxy-4 inverted exclamation mark ,5,7-trihydroxyflavone
    • Chrysoeriol

  • Applications

    Chrysoeriol (CAS 491-71-4) is a flavone encountered in plant-derived extracts and is commonly evaluated as a chemical intermediate for the synthesis of flavonoid derivatives used in pharmaceutical and agrochemical research. It may function as an antioxidant and light stabilizer in cosmetics and personal care formulations. In coatings and inks, chrysoeriol can serve as a natural-like UV-absorbing additive or as part of resin formulations that contribute color and photo-stability. It also finds use as a reference material in analytical phytochemistry and as a starting point for synthetic routes to related flavonoid derivatives. Additionally, it may be explored as a natural product ingredient in flavor and fragrance research, and in polymer science as a potential functional additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.4
    methanol 0.41
    isopropanol 0.76
    water 0.0
    ethyl acetate 0.88
    n-propanol 1.06
    acetone 0.46
    n-butanol 1.19
    acetonitrile 0.4
    DMF 24.72
    toluene 0.03
    isobutanol 0.74
    1,4-dioxane 2.36
    methyl acetate 1.3
    THF 18.95
    2-butanone 2.26
    n-pentanol 0.74
    sec-butanol 1.44
    n-hexane 0.0
    ethylene glycol 2.94
    NMP 26.88
    cyclohexane 0.0
    DMSO 341.27
    n-butyl acetate 1.19
    n-octanol 0.41
    chloroform 0.01
    n-propyl acetate 1.28
    acetic acid 2.34
    dichloromethane 0.02
    cyclohexanone 3.12
    propylene glycol 4.82
    isopropyl acetate 0.78
    DMAc 39.33
    2-ethoxyethanol 13.26
    isopentanol 1.21
    n-heptane 0.01
    ethyl formate 0.71
    1,2-dichloroethane 0.06
    n-hexanol 0.39
    2-methoxyethanol 32.33
    isobutyl acetate 0.68
    tetrachloromethane 0.0
    n-pentyl acetate 0.89
    transcutol 73.52
    n-heptanol 0.52
    ethylbenzene 0.04
    MIBK 1.09
    2-propoxyethanol 14.85
    tert-butanol 1.53
    MTBE 0.51
    2-butoxyethanol 5.59
    propionic acid 2.33
    o-xylene 0.05
    formic acid 2.25
    diethyl ether 0.23
    m-xylene 0.04
    p-xylene 0.05
    chlorobenzene 0.03
    dimethyl carbonate 1.88
    n-octane 0.0
    formamide 6.11
    cyclopentanone 8.44
    2-pentanone 1.29
    anisole 0.52
    cyclopentyl methyl ether 1.43
    gamma-butyrolactone 13.74
    1-methoxy-2-propanol 26.64
    pyridine 0.95
    3-pentanone 0.81
    furfural 9.02
    n-dodecane 0.01
    diethylene glycol 20.72
    diisopropyl ether 0.08
    tert-amyl alcohol 1.66
    acetylacetone 3.43
    n-hexadecane 0.01
    acetophenone 1.11
    methyl propionate 2.11
    isopentyl acetate 1.5
    trichloroethylene 0.16
    n-nonanol 0.52
    cyclohexanol 0.89
    benzyl alcohol 0.93
    2-ethylhexanol 0.45
    isooctanol 0.59
    dipropyl ether 0.71
    1,2-dichlorobenzene 0.06
    ethyl lactate 3.56
    propylene carbonate 2.75
    n-methylformamide 5.88
    2-pentanol 0.74
    n-pentane 0.0
    1-propoxy-2-propanol 11.17
    1-methoxy-2-propyl acetate 6.22
    2-(2-methoxypropoxy) propanol 11.36
    mesitylene 0.03
    ε-caprolactone 4.4
    p-cymene 0.1
    epichlorohydrin 11.25
    1,1,1-trichloroethane 0.03
    2-aminoethanol 3.96
    morpholine-4-carbaldehyde 29.71
    sulfolane 55.03
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.37
    n-hexyl acetate 1.33
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 14.18
    sec-butyl acetate 0.78
    tert-butyl acetate 1.51
    decalin 0.01
    glycerin 24.36
    diglyme 30.63
    acrylic acid 2.93
    isopropyl myristate 0.69
    n-butyric acid 2.06
    acetyl acetate 0.64
    di(2-ethylhexyl) phthalate 1.21
    ethyl propionate 1.29
    nitromethane 8.8
    1,2-diethoxyethane 4.21
    benzonitrile 0.44
    trioctyl phosphate 0.86
    1-bromopropane 0.04
    gamma-valerolactone 27.65
    n-decanol 0.42
    triethyl phosphate 1.58
    4-methyl-2-pentanol 0.49
    propionitrile 0.6
    vinylene carbonate 1.81
    1,1,2-trichlorotrifluoroethane 15.1
    DMS 2.27
    cumene 0.04
    2-octanol 0.31
    2-hexanone 1.44
    octyl acetate 0.9
    limonene 0.15
    1,2-dimethoxyethane 16.51
    ethyl orthosilicate 1.33
    tributyl phosphate 1.17
    diacetone alcohol 8.49
    N,N-dimethylaniline 0.53
    acrylonitrile 1.38
    aniline 0.31
    1,3-propanediol 7.81
    bromobenzene 0.02
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.23
    2-methyl-cyclohexyl acetate 1.47
    tetrabutyl urea 2.06
    diisobutyl methanol 0.48
    2-phenylethanol 0.9
    styrene 0.03
    dioctyl adipate 1.96
    dimethyl sulfate 8.82
    ethyl butyrate 1.43
    methyl lactate 8.45
    butyl lactate 2.94
    diethyl carbonate 1.08
    propanediol butyl ether 6.58
    triethyl orthoformate 2.09
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 3.22
    morpholine 8.08
    tert-butylamine 0.25
    n-dodecanol 0.32
    dimethoxymethane 9.55
    ethylene carbonate 1.28
    cyrene 12.06
    2-ethoxyethyl acetate 3.26
    2-ethylhexyl acetate 0.99
    1,2,4-trichlorobenzene 0.15
    4-methylpyridine 0.66
    dibutyl ether 0.71
    2,6-dimethyl-4-heptanol 0.48
    DEF 4.09
    dimethyl isosorbide 21.17
    tetrachloroethylene 0.07
    eugenol 4.29
    triacetin 4.1
    span 80 5.41
    1,4-butanediol 1.98
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.91
    methyl formate 2.82
    2-methyl-1-butanol 1.18
    n-decane 0.01
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.64
    1-chlorooctane 0.08
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.65
    tetrahydropyran 0.78
    tert-amyl methyl ether 0.83
    2,5,8-trioxanonane 22.12
    1-hexene 0.02
    2-isopropoxyethanol 6.89
    2,2,2-trifluoroethanol 1.2
    methyl butyrate 2.0

    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