Chrysin

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  • Identifiers

    CAS number
    480-40-0

    Molecular formula
    C15H10O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 51.47%
    Odorless 46.03%
    Burnt 31.88%
    Medicinal 24.85%
    Animal 24.27%
    Balsamic 24.2%
    Bitter 23.31%
    Nutty 22.89%
    Fruity 21.62%
    Spicy 21.6%

     

    Flavor
    Bitter 92.81%
    Very strong 21.3%
    Indole 21.01%
    Nitrile 20.82%
    Cedarleaf 20.62%
    Moth ball 20.43%
    Lovage 20.31%
    Naphthelene 20.14%
    Ripe apricot 19.72%
    Parsley 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.02 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    563°C

    Melting point expt.

    • 285.50 °C. @ 760.00 mm Hg

    Flash point

    • 191.86 ˚C est.

  • Synonyms

    • chrysin
    • 480-40-0
    • 5,7-Dihydroxyflavone
    • Chrysine
    • 5,7-dihydroxy-2-phenylchromen-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-
    • 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one
    • FLAVONE, 5,7-DIHYDROXY-
    • NSC-407436
    • DTXSID1022396
    • 3CN01F5ZJ5
    • DTXCID902396
    • CHEBI:75095
    • 5,7-dihydroxy-flavone
    • RefChem:5686
    • 207-549-7
    • 5,7-Dihydroxy-2-phenyl-4H-chromen-4-one
    • MFCD00006834
    • 5,7-Dihydroxy-2-phenyl-chromen-4-one
    • NSC407436
    • CHEMBL117
    • Crysin
    • 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one
    • Chrysin 99+%
    • CAS-480-40-0
    • Chrysinic acid
    • SMR000112318
    • SR-01000765660
    • EINECS 207-549-7
    • NSC 407436
    • BRN 0233276
    • UNII-3CN01F5ZJ5
    • Chrysinic acid;
    • 3ebo
    • 4des
    • 5,7-flavonone
    • 57D
    • Chrysin (Standard)
    • 5,7-diOH-Flavone
    • Flavone,7-dihydroxy-
    • Chrysin, 97%
    • 5,7-dihydroxy flavone
    • Ois 3
    • Spectrum_000245
    • CHRYSIN [MI]
    • Prestwick0_000889
    • Prestwick1_000889
    • Prestwick2_000889
    • Prestwick3_000889
    • Spectrum2_000753
    • Spectrum3_001399
    • Spectrum4_000780
    • Spectrum5_001503
    • Chrysin, analytical standard
    • Oprea1_045160
    • SCHEMBL44474
    • BSPBio_000678
    • BSPBio_002514
    • BSPBio_003018
    • KBioGR_001200
    • KBioSS_000725
    • 5-18-04-00076 (Beilstein Handbook Reference)
    • MLS000697728
    • MLS001074879
    • MLS006011841
    • BIDD:ER0484
    • DivK1c_000614
    • SPECTRUM1500709
    • SPECTRUM1505144
    • SPBio_000766
    • SPBio_002897
    • AKOS NCG1-0026
    • BDBM7461
    • BPBio1_000746
    • GTPL8789
    • MEGxp0_001416
    • orb1304954
    • SCHEMBL28586240
    • SCHEMBL29383577
    • ACon1_000087
    • cid_5281607
    • HMS501O16
    • KBio1_000614
    • KBio2_000725
    • KBio2_003293
    • KBio2_005861
    • KBio3_002238
    • MSK7407
    • NINDS_000614
    • HMS1570B20
    • HMS1921E20
    • HMS2097B20
    • HMS2268I23
    • HMS3468N08
    • HMS3655L20
    • ALBB-015581
    • BB_NC-01015
    • Tox21_302335
    • BBL010449
    • CCG-40148
    • EBC-13872
    • HY-14589R
    • LMPK12110189
    • NSC818102
    • s2281
    • SBB012459
    • STK801609
    • AKOS000275936
    • CS-7531
    • DB15581
    • FD30010
    • GS-0927
    • NSC-818102
    • SDCCGMLS-0066586.P001
    • IDI1_000614
    • SMP1_000070
    • NCGC00016456-01
    • NCGC00016456-02
    • NCGC00016456-03
    • NCGC00016456-04
    • NCGC00016456-05
    • NCGC00016456-06
    • NCGC00016456-07
    • NCGC00016456-08
    • NCGC00016456-09
    • NCGC00016456-10
    • NCGC00016456-12
    • chrysin

  • Applications

    Chrysin (CAS 480-40-0) is primarily used as a chemical intermediate for the synthesis of flavonoid derivatives; in cosmetics and personal care, it is evaluated as an antioxidant additive to improve formulation stability; in polymer and coatings applications, it can act as an antioxidant/stabilizer to extend the life of polymers and coatings; in pharmaceutical research, it is studied as a lead compound in medicinal chemistry programs; and in analytical work, it is used as a reference material or standard for HPLC and related chromatographic methods.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.14
    methanol 1.79
    isopropanol 1.94
    water 0.0
    ethyl acetate 2.18
    n-propanol 2.28
    acetone 5.49
    n-butanol 2.13
    acetonitrile 2.9
    DMF 63.36
    toluene 0.21
    isobutanol 1.81
    1,4-dioxane 9.66
    methyl acetate 5.26
    THF 62.77
    2-butanone 7.0
    n-pentanol 1.9
    sec-butanol 1.88
    n-hexane 0.0
    ethylene glycol 14.51
    NMP 79.49
    cyclohexane 0.0
    DMSO 1161.2
    n-butyl acetate 4.89
    n-octanol 1.43
    chloroform 0.06
    n-propyl acetate 4.46
    acetic acid 13.82
    dichloromethane 0.09
    cyclohexanone 10.34
    propylene glycol 20.96
    isopropyl acetate 2.71
    DMAc 80.47
    2-ethoxyethanol 25.05
    isopentanol 2.92
    n-heptane 0.01
    ethyl formate 3.45
    1,2-dichloroethane 0.37
    n-hexanol 1.33
    2-methoxyethanol 70.64
    isobutyl acetate 3.46
    tetrachloromethane 0.02
    n-pentyl acetate 3.22
    transcutol 366.6
    n-heptanol 1.43
    ethylbenzene 0.15
    MIBK 4.25
    2-propoxyethanol 29.0
    tert-butanol 3.3
    MTBE 1.21
    2-butoxyethanol 13.63
    propionic acid 7.96
    o-xylene 0.23
    formic acid 7.67
    diethyl ether 0.38
    m-xylene 0.22
    p-xylene 0.23
    chlorobenzene 0.33
    dimethyl carbonate 6.55
    n-octane 0.0
    formamide 19.35
    cyclopentanone 32.88
    2-pentanone 3.77
    anisole 2.38
    cyclopentyl methyl ether 4.24
    gamma-butyrolactone 50.19
    1-methoxy-2-propanol 53.05
    pyridine 5.12
    3-pentanone 1.81
    furfural 39.37
    n-dodecane 0.02
    diethylene glycol 53.02
    diisopropyl ether 0.21
    tert-amyl alcohol 2.94
    acetylacetone 15.68
    n-hexadecane 0.03
    acetophenone 5.58
    methyl propionate 4.47
    isopentyl acetate 6.19
    trichloroethylene 1.06
    n-nonanol 1.64
    cyclohexanol 2.07
    benzyl alcohol 4.88
    2-ethylhexanol 1.46
    isooctanol 1.73
    dipropyl ether 1.28
    1,2-dichlorobenzene 0.48
    ethyl lactate 11.34
    propylene carbonate 16.71
    n-methylformamide 16.3
    2-pentanol 1.11
    n-pentane 0.0
    1-propoxy-2-propanol 23.84
    1-methoxy-2-propyl acetate 21.1
    2-(2-methoxypropoxy) propanol 33.7
    mesitylene 0.14
    ε-caprolactone 15.2
    p-cymene 0.49
    epichlorohydrin 44.08
    1,1,1-trichloroethane 0.21
    2-aminoethanol 13.07
    morpholine-4-carbaldehyde 78.04
    sulfolane 172.15
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 10.19
    n-hexyl acetate 5.17
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 45.72
    sec-butyl acetate 3.03
    tert-butyl acetate 5.68
    decalin 0.02
    glycerin 70.79
    diglyme 83.84
    acrylic acid 13.24
    isopropyl myristate 2.53
    n-butyric acid 6.72
    acetyl acetate 3.29
    di(2-ethylhexyl) phthalate 4.91
    ethyl propionate 3.31
    nitromethane 45.26
    1,2-diethoxyethane 13.84
    benzonitrile 3.54
    trioctyl phosphate 2.95
    1-bromopropane 0.09
    gamma-valerolactone 79.68
    n-decanol 1.31
    triethyl phosphate 4.58
    4-methyl-2-pentanol 1.34
    propionitrile 1.86
    vinylene carbonate 10.79
    1,1,2-trichlorotrifluoroethane 48.07
    DMS 10.77
    cumene 0.2
    2-octanol 0.81
    2-hexanone 4.81
    octyl acetate 3.33
    limonene 0.63
    1,2-dimethoxyethane 32.06
    ethyl orthosilicate 3.55
    tributyl phosphate 4.43
    diacetone alcohol 27.6
    N,N-dimethylaniline 2.07
    acrylonitrile 4.95
    aniline 2.03
    1,3-propanediol 20.35
    bromobenzene 0.17
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 1.1
    2-methyl-cyclohexyl acetate 5.78
    tetrabutyl urea 7.1
    diisobutyl methanol 1.46
    2-phenylethanol 4.73
    styrene 0.17
    dioctyl adipate 7.21
    dimethyl sulfate 29.06
    ethyl butyrate 4.58
    methyl lactate 23.64
    butyl lactate 10.79
    diethyl carbonate 3.64
    propanediol butyl ether 23.58
    triethyl orthoformate 5.4
    p-tert-butyltoluene 0.5
    methyl 4-tert-butylbenzoate 11.09
    morpholine 24.11
    tert-butylamine 0.71
    n-dodecanol 1.0
    dimethoxymethane 20.54
    ethylene carbonate 7.09
    cyrene 30.2
    2-ethoxyethyl acetate 12.28
    2-ethylhexyl acetate 3.97
    1,2,4-trichlorobenzene 1.27
    4-methylpyridine 4.38
    dibutyl ether 1.73
    2,6-dimethyl-4-heptanol 1.46
    DEF 8.83
    dimethyl isosorbide 54.05
    tetrachloroethylene 0.37
    eugenol 13.65
    triacetin 15.58
    span 80 18.28
    1,4-butanediol 6.08
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 2.7
    methyl formate 11.61
    2-methyl-1-butanol 2.41
    n-decane 0.02
    butyronitrile 1.88
    3,7-dimethyl-1-octanol 2.28
    1-chlorooctane 0.25
    1-chlorotetradecane 0.16
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 4.47
    tetrahydropyran 2.35
    tert-amyl methyl ether 1.58
    2,5,8-trioxanonane 59.95
    1-hexene 0.02
    2-isopropoxyethanol 15.17
    2,2,2-trifluoroethanol 5.53
    methyl butyrate 5.5

    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