Bavachinin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    19879-30-2

    Molecular formula
    C21H22O4

    SMILES
    CC(=CCC1=CC2=C(C=C1OC)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Spicy 57.93%
    Sweet 56.47%
    Phenolic 41.42%
    Herbal 41.26%
    Woody 30.47%
    Warm 29.52%
    Balsamic 27.52%
    Floral 25.2%
    Clove 25.02%
    Powdery 25.02%

     

    Flavor
    Bitter 81.49%
    Herbal 23.99%
    Lovage 20.35%
    Parsley 19.91%
    Cedarleaf 19.0%
    Basil 18.1%
    Ethyl benzoate 17.85%
    Ripe apricot 17.82%
    Outdoor 17.77%
    Heather 17.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.56 (weak base)

    Molecular weight
    338.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    617°C

    Flash point

    • 201.53 ˚C est.

  • Synonyms

    • Bavachinin
    • 19879-30-2
    • Bavachinin A
    • VL3EV483SZ
    • (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • 4'-Hydroxy-7-methoxy-6-(3-methyl-2-butenyl)flavanone
    • (2S)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-4H-1-BENZOPYRAN-4-ONE
    • RefChem:29609
    • 2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • (S)-2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)chroman-4-one
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-, (2S)-
    • MFCD06858307
    • Bavachinin (Standard)
    • BRN 3629340
    • UNII-VL3EV483SZ
    • Flavanone, 4'-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-
    • 5-18-04-00132 (Beilstein Handbook Reference)
    • orb1304583
    • SCHEMBL4220751
    • CHEMBL1551302
    • HY-N0234R
    • CHEBI:184255
    • EX-A3649
    • HY-N0234
    • BDBM50084040
    • s3878
    • AKOS032962310
    • Bavachinin, >=95% (LC/MS-ELSD)
    • CCG-208380
    • CS-3751
    • EBC-610383
    • FB74197
    • NCGC00163517-01
    • (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
    • AC-31454
    • BS-15784
    • DA-50947
    • NS00097154
    • SR-05000002282
    • SR-05000002282-2
    • Z2037316850
    • (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chroman-4-one
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-, (S)-
    • 19879-30-2

  • Applications

    Bavachinin (CAS 19879-30-2) is a natural flavonoid found in Epimedium species, and in industry it is mainly encountered in research and development contexts. It is commonly used as a lead compound or pharmacological probe in natural product chemistry, with studies on antioxidant and anti-inflammatory activity; it may also be explored as a cosmetic ingredient for skin-conditioning and antioxidant effects, within formulation limits. It is used in nutraceutical research as a plant-derived bioactive ingredient and can serve as a reference standard or analytical benchmark for quality control of botanical extracts. In analytical and process chemistry, bavachinin can be employed as an intermediate or building block in the synthesis of flavonoid derivatives for research purposes, and its use is subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.56
    methanol 39.46
    isopropanol 33.09
    water 0.03
    ethyl acetate 120.57
    n-propanol 34.6
    acetone 135.72
    n-butanol 28.39
    acetonitrile 89.7
    DMF 154.62
    toluene 31.18
    isobutanol 26.63
    1,4-dioxane 294.45
    methyl acetate 136.23
    THF 416.3
    2-butanone 127.11
    n-pentanol 25.75
    sec-butanol 28.42
    n-hexane 0.31
    ethylene glycol 12.29
    NMP 77.97
    cyclohexane 1.27
    DMSO 295.84
    n-butyl acetate 42.97
    n-octanol 13.17
    chloroform 338.48
    n-propyl acetate 54.5
    acetic acid 101.49
    dichloromethane 266.34
    cyclohexanone 119.76
    propylene glycol 32.87
    isopropyl acetate 64.51
    DMAc 344.11
    2-ethoxyethanol 129.76
    isopentanol 29.93
    n-heptane 0.74
    ethyl formate 44.58
    1,2-dichloroethane 157.33
    n-hexanol 18.17
    2-methoxyethanol 175.7
    isobutyl acetate 38.5
    tetrachloromethane 11.75
    n-pentyl acetate 29.8
    transcutol 619.06
    n-heptanol 13.27
    ethylbenzene 12.87
    MIBK 53.43
    2-propoxyethanol 119.54
    tert-butanol 57.72
    MTBE 48.26
    2-butoxyethanol 56.68
    propionic acid 50.76
    o-xylene 16.64
    formic acid 28.51
    diethyl ether 50.54
    m-xylene 17.28
    p-xylene 19.79
    chlorobenzene 55.21
    dimethyl carbonate 87.6
    n-octane 0.51
    formamide 68.28
    cyclopentanone 157.7
    2-pentanone 75.47
    anisole 63.23
    cyclopentyl methyl ether 71.6
    gamma-butyrolactone 153.01
    1-methoxy-2-propanol 143.16
    pyridine 129.27
    3-pentanone 78.14
    furfural 136.69
    n-dodecane 0.92
    diethylene glycol 108.29
    diisopropyl ether 12.7
    tert-amyl alcohol 34.72
    acetylacetone 151.7
    n-hexadecane 1.11
    acetophenone 61.39
    methyl propionate 103.85
    isopentyl acetate 47.62
    trichloroethylene 393.77
    n-nonanol 15.44
    cyclohexanol 31.3
    benzyl alcohol 52.86
    2-ethylhexanol 13.97
    isooctanol 13.76
    dipropyl ether 26.06
    1,2-dichlorobenzene 53.19
    ethyl lactate 41.28
    propylene carbonate 67.42
    n-methylformamide 67.85
    2-pentanol 20.51
    n-pentane 0.33
    1-propoxy-2-propanol 77.4
    1-methoxy-2-propyl acetate 102.19
    2-(2-methoxypropoxy) propanol 95.13
    mesitylene 10.86
    ε-caprolactone 91.28
    p-cymene 10.22
    epichlorohydrin 314.87
    1,1,1-trichloroethane 105.68
    2-aminoethanol 27.22
    morpholine-4-carbaldehyde 220.12
    sulfolane 155.89
    2,2,4-trimethylpentane 0.87
    2-methyltetrahydrofuran 107.21
    n-hexyl acetate 41.81
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 130.17
    sec-butyl acetate 41.97
    tert-butyl acetate 72.14
    decalin 1.46
    glycerin 57.09
    diglyme 291.3
    acrylic acid 52.22
    isopropyl myristate 21.99
    n-butyric acid 62.97
    acetyl acetate 97.66
    di(2-ethylhexyl) phthalate 26.36
    ethyl propionate 55.39
    nitromethane 286.6
    1,2-diethoxyethane 139.86
    benzonitrile 51.41
    trioctyl phosphate 15.77
    1-bromopropane 36.12
    gamma-valerolactone 241.48
    n-decanol 12.23
    triethyl phosphate 31.35
    4-methyl-2-pentanol 16.5
    propionitrile 60.05
    vinylene carbonate 72.4
    1,1,2-trichlorotrifluoroethane 184.63
    DMS 76.57
    cumene 9.51
    2-octanol 8.84
    2-hexanone 52.88
    octyl acetate 26.0
    limonene 12.32
    1,2-dimethoxyethane 226.0
    ethyl orthosilicate 29.91
    tributyl phosphate 22.45
    diacetone alcohol 93.45
    N,N-dimethylaniline 36.83
    acrylonitrile 83.47
    aniline 55.74
    1,3-propanediol 54.23
    bromobenzene 58.5
    dibromomethane 112.24
    1,1,2,2-tetrachloroethane 269.16
    2-methyl-cyclohexyl acetate 40.81
    tetrabutyl urea 30.84
    diisobutyl methanol 13.41
    2-phenylethanol 44.26
    styrene 19.33
    dioctyl adipate 40.24
    dimethyl sulfate 117.0
    ethyl butyrate 40.89
    methyl lactate 67.15
    butyl lactate 32.53
    diethyl carbonate 36.88
    propanediol butyl ether 56.15
    triethyl orthoformate 41.65
    p-tert-butyltoluene 9.94
    methyl 4-tert-butylbenzoate 56.17
    morpholine 270.87
    tert-butylamine 18.79
    n-dodecanol 9.64
    dimethoxymethane 220.09
    ethylene carbonate 66.1
    cyrene 78.26
    2-ethoxyethyl acetate 85.0
    2-ethylhexyl acetate 35.51
    1,2,4-trichlorobenzene 74.8
    4-methylpyridine 95.32
    dibutyl ether 26.81
    2,6-dimethyl-4-heptanol 13.41
    DEF 82.52
    dimethyl isosorbide 151.18
    tetrachloroethylene 117.73
    eugenol 55.39
    triacetin 89.99
    span 80 53.08
    1,4-butanediol 23.27
    1,1-dichloroethane 127.81
    2-methyl-1-pentanol 24.94
    methyl formate 65.61
    2-methyl-1-butanol 24.79
    n-decane 1.38
    butyronitrile 40.44
    3,7-dimethyl-1-octanol 19.06
    1-chlorooctane 8.36
    1-chlorotetradecane 4.22
    n-nonane 1.01
    undecane 1.1
    tert-butylcyclohexane 1.4
    cyclooctane 0.54
    cyclopentanol 37.05
    tetrahydropyran 125.22
    tert-amyl methyl ether 32.82
    2,5,8-trioxanonane 210.64
    1-hexene 2.45
    2-isopropoxyethanol 86.49
    2,2,2-trifluoroethanol 37.47
    methyl butyrate 60.71

    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