Burchellin

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  • Identifiers

    CAS number
    38276-59-4

    Molecular formula
    C20H20O5

    SMILES
    C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@@]12CC=C)OC)C3=CC4=C(C=C3)OCO4

    Safety labels

  • Odor profile

    Fragrance
    Spicy 43.65%
    Fruity 29.19%
    Floral 26.65%
    Green 24.91%
    Woody 24.45%
    Sweet 24.36%
    Herbal 23.45%
    Celery 22.19%
    Fresh 21.79%
    Jasmin 19.35%

     

    Flavor
    Bitter 85.02%
    Lovage 20.42%
    Cedarleaf 20.15%
    Parsley 19.85%
    Ripe apricot 18.72%
    Sweet-like 18.49%
    Basil 18.25%
    Red fruit 18.21%
    Leaves 18.17%
    Heather 18.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    5.91 (weak acid)

    Molecular weight
    340.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    527°C

    Flash point

    • 183.06 ˚C est.

  • Synonyms

    • Burchellin
    • 38276-59-4
    • CHEBI:132650
    • RefChem:917719
    • 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
    • (2S,3S,3Ar)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
    • (2S,3S,3aR)-2-(2H-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one
    • orb1683035
    • CHEMBL4641974
    • HY-N2970
    • AKOS032962670
    • FS-8785
    • CS-0023610
    • 38276-59-4

  • Applications

    Burchellin (CAS 38276-59-4) is a natural polyphenolic lignan of interest in research settings; in practice, it is often evaluated as an organic-synthesis intermediate, explored as a potential pharmacological lead in drug-discovery programs, and studied for antioxidant and antimicrobial activities that may support cosmetic and personal-care formulations, while also serving as a research reagent in chemical biology investigations; its use is typically subject to local regulations and formulation limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.63
    methanol 14.01
    isopropanol 13.25
    water 0.08
    ethyl acetate 62.81
    n-propanol 14.32
    acetone 52.3
    n-butanol 17.24
    acetonitrile 51.5
    DMF 57.37
    toluene 28.07
    isobutanol 12.61
    1,4-dioxane 74.83
    methyl acetate 51.49
    THF 123.99
    2-butanone 52.38
    n-pentanol 11.63
    sec-butanol 11.97
    n-hexane 0.32
    ethylene glycol 8.64
    NMP 51.62
    cyclohexane 1.78
    DMSO 74.03
    n-butyl acetate 26.42
    n-octanol 7.88
    chloroform 265.29
    n-propyl acetate 34.21
    acetic acid 62.55
    dichloromethane 233.16
    cyclohexanone 76.97
    propylene glycol 5.8
    isopropyl acetate 48.05
    DMAc 98.92
    2-ethoxyethanol 46.46
    isopentanol 21.82
    n-heptane 0.49
    ethyl formate 29.83
    1,2-dichloroethane 104.04
    n-hexanol 14.16
    2-methoxyethanol 67.03
    isobutyl acetate 27.97
    tetrachloromethane 15.51
    n-pentyl acetate 23.15
    transcutol 127.94
    n-heptanol 11.01
    ethylbenzene 11.66
    MIBK 37.7
    2-propoxyethanol 55.74
    tert-butanol 18.72
    MTBE 15.55
    2-butoxyethanol 36.74
    propionic acid 26.39
    o-xylene 14.99
    formic acid 28.13
    diethyl ether 23.35
    m-xylene 15.25
    p-xylene 16.04
    chlorobenzene 44.6
    dimethyl carbonate 51.09
    n-octane 0.41
    formamide 50.22
    cyclopentanone 83.1
    2-pentanone 47.73
    anisole 38.05
    cyclopentyl methyl ether 34.97
    gamma-butyrolactone 95.42
    1-methoxy-2-propanol 56.02
    pyridine 88.3
    3-pentanone 40.99
    furfural 97.36
    n-dodecane 0.6
    diethylene glycol 58.48
    diisopropyl ether 7.83
    tert-amyl alcohol 15.19
    acetylacetone 87.4
    n-hexadecane 0.72
    acetophenone 46.16
    methyl propionate 49.65
    isopentyl acetate 32.99
    trichloroethylene 252.17
    n-nonanol 10.06
    cyclohexanol 22.45
    benzyl alcohol 36.05
    2-ethylhexanol 11.27
    isooctanol 11.27
    dipropyl ether 11.89
    1,2-dichlorobenzene 47.02
    ethyl lactate 27.0
    propylene carbonate 53.32
    n-methylformamide 31.82
    2-pentanol 11.6
    n-pentane 0.46
    1-propoxy-2-propanol 34.57
    1-methoxy-2-propyl acetate 55.12
    2-(2-methoxypropoxy) propanol 47.97
    mesitylene 8.49
    ε-caprolactone 65.4
    p-cymene 8.55
    epichlorohydrin 155.76
    1,1,1-trichloroethane 70.32
    2-aminoethanol 12.04
    morpholine-4-carbaldehyde 90.05
    sulfolane 83.16
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 47.15
    n-hexyl acetate 27.29
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 52.89
    sec-butyl acetate 29.73
    tert-butyl acetate 43.66
    decalin 1.27
    glycerin 21.97
    diglyme 106.19
    acrylic acid 31.76
    isopropyl myristate 15.42
    n-butyric acid 49.74
    acetyl acetate 69.81
    di(2-ethylhexyl) phthalate 20.75
    ethyl propionate 38.72
    nitromethane 125.89
    1,2-diethoxyethane 37.59
    benzonitrile 50.76
    trioctyl phosphate 13.18
    1-bromopropane 30.11
    gamma-valerolactone 117.66
    n-decanol 7.74
    triethyl phosphate 21.19
    4-methyl-2-pentanol 11.82
    propionitrile 45.38
    vinylene carbonate 62.76
    1,1,2-trichlorotrifluoroethane 103.44
    DMS 40.38
    cumene 8.21
    2-octanol 6.88
    2-hexanone 30.84
    octyl acetate 17.91
    limonene 8.94
    1,2-dimethoxyethane 78.08
    ethyl orthosilicate 19.56
    tributyl phosphate 16.05
    diacetone alcohol 49.31
    N,N-dimethylaniline 22.39
    acrylonitrile 70.28
    aniline 40.66
    1,3-propanediol 29.41
    bromobenzene 47.02
    dibromomethane 109.41
    1,1,2,2-tetrachloroethane 150.5
    2-methyl-cyclohexyl acetate 29.04
    tetrabutyl urea 21.31
    diisobutyl methanol 8.76
    2-phenylethanol 36.59
    styrene 15.18
    dioctyl adipate 25.59
    dimethyl sulfate 63.95
    ethyl butyrate 29.09
    methyl lactate 34.92
    butyl lactate 23.54
    diethyl carbonate 25.52
    propanediol butyl ether 23.19
    triethyl orthoformate 24.81
    p-tert-butyltoluene 7.21
    methyl 4-tert-butylbenzoate 39.78
    morpholine 72.59
    tert-butylamine 7.79
    n-dodecanol 6.11
    dimethoxymethane 88.71
    ethylene carbonate 55.08
    cyrene 49.84
    2-ethoxyethyl acetate 43.53
    2-ethylhexyl acetate 24.91
    1,2,4-trichlorobenzene 56.54
    4-methylpyridine 66.93
    dibutyl ether 11.0
    2,6-dimethyl-4-heptanol 8.76
    DEF 46.97
    dimethyl isosorbide 77.14
    tetrachloroethylene 92.57
    eugenol 43.96
    triacetin 45.15
    span 80 28.77
    1,4-butanediol 11.85
    1,1-dichloroethane 76.77
    2-methyl-1-pentanol 16.11
    methyl formate 33.07
    2-methyl-1-butanol 16.34
    n-decane 0.95
    butyronitrile 36.44
    3,7-dimethyl-1-octanol 11.57
    1-chlorooctane 5.65
    1-chlorotetradecane 2.83
    n-nonane 0.68
    undecane 0.73
    tert-butylcyclohexane 0.88
    cyclooctane 0.64
    cyclopentanol 19.93
    tetrahydropyran 49.02
    tert-amyl methyl ether 14.2
    2,5,8-trioxanonane 80.8
    1-hexene 2.35
    2-isopropoxyethanol 37.83
    2,2,2-trifluoroethanol 34.83
    methyl butyrate 42.32

    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