Pectolinarigenin

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  • Identifiers

    CAS number
    520-12-7

    Molecular formula
    C17H14O6

    SMILES
    COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 60.43%
    Vanilla 39.85%
    Sweet 39.27%
    Spicy 39.03%
    Burnt 35.93%
    Smoky 35.77%
    Balsamic 31.18%
    Odorless 30.48%
    Medicinal 29.26%
    Woody 28.69%

     

    Flavor
    Bitter 84.61%
    Parsley 21.52%
    Eugenol 21.16%
    Lovage 20.09%
    Cedarleaf 20.08%
    Sweet-like 20.07%
    Ham 19.92%
    Ethyl benzoate 19.91%
    Curry 19.79%
    Allspice 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.67 (weak base)

    Molecular weight
    314.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    714°C

    Flash point

    • 208.39 ˚C est.

  • Synonyms

    • Pectolinarigenin
    • 520-12-7
    • Pectolinaringenin
    • 6-methoxyacacetin
    • 5,7-Dihydroxy-4',6-dimethoxyflavone
    • 4'-Methylcapillarisin
    • NSC-106403
    • 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one
    • 4U3UZ1K35N
    • Flavone, 5,7-dihydroxy-4',6-dimethoxy-
    • 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-
    • CHEBI:81336
    • DTXSID20199960
    • RefChem:528245
    • 5,7-DHDMF
    • DTXCID80122451
    • 208-286-0
    • 5,7-Dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • 5,7-Dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4-benzopyrone
    • 5,7-Dihydroxy-6,4'-dimethoxyflavone
    • MFCD00017444
    • scutellarein-6,4'-dimethyl ether
    • CHEMBL78010
    • ST077090
    • UNII-4U3UZ1K35N
    • EINECS 208-286-0
    • NSC 106403
    • 4'-methyl capillarisin
    • 6,4'-dimethoxyscutellarein
    • Pectolinarigenin (Standard)
    • 6-methoxy-4'-methylapigenin
    • Oprea1_140721
    • PECTOLINARIGENIN [MI]
    • MLS001049045
    • SCHEMBL243686
    • orb1300253
    • SCHEMBL29606971
    • ACon1_001597
    • cid_5320438
    • HY-N0493R
    • WLZ4714
    • scutellarein 6,4'-dimethyl ether
    • GLXC-13352
    • HMS2270F07
    • HY-N0493
    • BDBM50064896
    • LMPK12111164
    • NSC106403
    • s3255
    • STL564459
    • AKOS002140587
    • Flavone,7-dihydroxy-4',6-dimethoxy-
    • EBC-468076
    • FS66113
    • NCGC00180341-01
    • AC-34438
    • AS-70342
    • DA-66539
    • SMR000387018
    • SY076008
    • CS-0009009
    • NS00032401
    • C17784
    • Q15425293
    • 4,5-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chromen-7-one
    • 5,7-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chromen-4-one
    • 4H-1-Benzopyran-4-one,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-
    • 5,7-Dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
    • 520-12-7

  • Applications

    Pectolinarigenin (CAS 520-12-7) is a natural flavone that is often evaluated for pharmaceutical lead potential and nutraceutical applications owing to reported antioxidant and anti-inflammatory activities; it is explored as a bioactive ingredient in cosmetics/personal care for skin-beneficial effects; it may serve as an intermediate in the synthesis of related flavonoids; and it has been investigated for agricultural uses as a phytochemical with antimicrobial properties. Regulatory status and formulation considerations apply.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.13
    methanol 0.15
    isopropanol 0.22
    water 0.0
    ethyl acetate 0.74
    n-propanol 0.33
    acetone 0.45
    n-butanol 0.31
    acetonitrile 0.37
    DMF 9.02
    toluene 0.09
    isobutanol 0.32
    1,4-dioxane 2.05
    methyl acetate 1.09
    THF 9.42
    2-butanone 1.21
    n-pentanol 0.31
    sec-butanol 0.45
    n-hexane 0.01
    ethylene glycol 0.57
    NMP 19.89
    cyclohexane 0.01
    DMSO 40.72
    n-butyl acetate 1.0
    n-octanol 0.25
    chloroform 0.4
    n-propyl acetate 0.91
    acetic acid 1.52
    dichloromethane 0.69
    cyclohexanone 2.66
    propylene glycol 0.79
    isopropyl acetate 0.71
    DMAc 19.86
    2-ethoxyethanol 3.29
    isopentanol 0.49
    n-heptane 0.02
    ethyl formate 0.42
    1,2-dichloroethane 0.72
    n-hexanol 0.26
    2-methoxyethanol 6.57
    isobutyl acetate 0.64
    tetrachloromethane 0.03
    n-pentyl acetate 0.73
    transcutol 24.46
    n-heptanol 0.35
    ethylbenzene 0.09
    MIBK 0.74
    2-propoxyethanol 5.01
    tert-butanol 0.62
    MTBE 0.51
    2-butoxyethanol 2.52
    propionic acid 1.28
    o-xylene 0.14
    formic acid 1.04
    diethyl ether 0.29
    m-xylene 0.1
    p-xylene 0.13
    chlorobenzene 0.18
    dimethyl carbonate 1.88
    n-octane 0.01
    formamide 2.59
    cyclopentanone 5.36
    2-pentanone 0.66
    anisole 0.72
    cyclopentyl methyl ether 1.64
    gamma-butyrolactone 9.56
    1-methoxy-2-propanol 5.23
    pyridine 1.69
    3-pentanone 0.79
    furfural 8.34
    n-dodecane 0.01
    diethylene glycol 6.13
    diisopropyl ether 0.14
    tert-amyl alcohol 0.81
    acetylacetone 2.12
    n-hexadecane 0.02
    acetophenone 1.32
    methyl propionate 1.57
    isopentyl acetate 1.33
    trichloroethylene 1.96
    n-nonanol 0.33
    cyclohexanol 0.65
    benzyl alcohol 0.81
    2-ethylhexanol 0.4
    isooctanol 0.42
    dipropyl ether 0.86
    1,2-dichlorobenzene 0.34
    ethyl lactate 1.7
    propylene carbonate 2.54
    n-methylformamide 2.04
    2-pentanol 0.29
    n-pentane 0.01
    1-propoxy-2-propanol 3.85
    1-methoxy-2-propyl acetate 4.12
    2-(2-methoxypropoxy) propanol 5.97
    mesitylene 0.08
    ε-caprolactone 3.56
    p-cymene 0.22
    epichlorohydrin 11.86
    1,1,1-trichloroethane 0.25
    2-aminoethanol 0.89
    morpholine-4-carbaldehyde 18.49
    sulfolane 34.41
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.72
    n-hexyl acetate 0.9
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.07
    sec-butyl acetate 0.74
    tert-butyl acetate 1.45
    decalin 0.02
    glycerin 5.1
    diglyme 15.63
    acrylic acid 2.03
    isopropyl myristate 0.6
    n-butyric acid 0.98
    acetyl acetate 0.83
    di(2-ethylhexyl) phthalate 0.99
    ethyl propionate 1.21
    nitromethane 5.7
    1,2-diethoxyethane 3.01
    benzonitrile 0.63
    trioctyl phosphate 0.59
    1-bromopropane 0.2
    gamma-valerolactone 12.81
    n-decanol 0.26
    triethyl phosphate 1.8
    4-methyl-2-pentanol 0.29
    propionitrile 0.54
    vinylene carbonate 2.17
    1,1,2-trichlorotrifluoroethane 14.16
    DMS 2.63
    cumene 0.1
    2-octanol 0.22
    2-hexanone 0.91
    octyl acetate 0.67
    limonene 0.32
    1,2-dimethoxyethane 6.86
    ethyl orthosilicate 1.57
    tributyl phosphate 0.87
    diacetone alcohol 3.57
    N,N-dimethylaniline 0.79
    acrylonitrile 1.26
    aniline 0.5
    1,3-propanediol 1.41
    bromobenzene 0.14
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 1.91
    2-methyl-cyclohexyl acetate 1.64
    tetrabutyl urea 1.49
    diisobutyl methanol 0.45
    2-phenylethanol 0.9
    styrene 0.09
    dioctyl adipate 1.62
    dimethyl sulfate 9.21
    ethyl butyrate 1.49
    methyl lactate 3.42
    butyl lactate 1.55
    diethyl carbonate 1.29
    propanediol butyl ether 2.22
    triethyl orthoformate 2.11
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 2.94
    morpholine 4.34
    tert-butylamine 0.22
    n-dodecanol 0.21
    dimethoxymethane 4.74
    ethylene carbonate 1.42
    cyrene 7.72
    2-ethoxyethyl acetate 2.46
    2-ethylhexyl acetate 1.01
    1,2,4-trichlorobenzene 0.7
    4-methylpyridine 1.01
    dibutyl ether 0.62
    2,6-dimethyl-4-heptanol 0.45
    DEF 2.72
    dimethyl isosorbide 14.15
    tetrachloroethylene 0.75
    eugenol 3.18
    triacetin 3.46
    span 80 2.93
    1,4-butanediol 0.5
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 0.52
    methyl formate 1.4
    2-methyl-1-butanol 0.51
    n-decane 0.02
    butyronitrile 0.31
    3,7-dimethyl-1-octanol 0.42
    1-chlorooctane 0.12
    1-chlorotetradecane 0.07
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 1.01
    tetrahydropyran 0.92
    tert-amyl methyl ether 0.79
    2,5,8-trioxanonane 12.08
    1-hexene 0.04
    2-isopropoxyethanol 2.39
    2,2,2-trifluoroethanol 1.04
    methyl butyrate 1.39

    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