Vignafuran

Overview IFRA Request a quote

  • Identifiers

    CAS number
    57800-41-6

    Molecular formula
    C16H14O4

    SMILES
    COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 69.57%
    Phenolic 62.52%
    Vanilla 42.46%
    Fruity 40.76%
    Spicy 39.92%
    Powdery 36.63%
    Smoky 34.58%
    Floral 34.01%
    Medicinal 33.86%
    Aromatic 32.07%

     

    Flavor
    Bitter 88.87%
    Parsley 21.68%
    Eugenol 20.69%
    Very strong 20.29%
    Indole 20.25%
    Cedarleaf 20.21%
    Lovage 20.0%
    Ripe apricot 19.71%
    Flat 19.59%
    Sweet-like 19.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.24 (weak base)

    Molecular weight
    270.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    461°C

    Flash point

    • 200.8 ˚C est.

  • Synonyms

    • Vignafuran
    • 57800-41-6
    • UNII-G9CLF6S56A
    • G9CLF6S56A
    • 3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol
    • 3-methoxy-4-(6-methoxybenzofuran-2-yl)phenol
    • Phenol, 3-methoxy-4-(6-methoxy-2-benzofuranyl)-
    • CHEMBL233767
    • 2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran
    • C08993
    • CHEBI:9980
    • DTXSID40331688
    • BDBM50213495
    • LMPK12160036
    • DB-294413
    • Q27108545
    • 57800-41-6

  • Applications

    Vignafuran (CAS number: 57800-41-6) is a fragrance ingredient used as an odorant in perfumery and in personal care products, where it may also serve as a fixing or note-enhancing component. In the food aroma sector, it is evaluated as an aroma ingredient to support flavor profiles where permitted. It is also commonly considered an intermediate in the synthesis of other fragrance compounds for industrial fragrance chemistry. In household cleaning products, Vignafuran can be incorporated to provide a pleasant aroma, and its use in other industrial fragrance applications may be explored, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.98
    methanol 17.39
    isopropanol 17.75
    water 0.01
    ethyl acetate 24.68
    n-propanol 20.44
    acetone 41.42
    n-butanol 15.61
    acetonitrile 15.26
    DMF 75.38
    toluene 3.31
    isobutanol 15.37
    1,4-dioxane 117.46
    methyl acetate 43.4
    THF 279.75
    2-butanone 44.87
    n-pentanol 15.17
    sec-butanol 18.19
    n-hexane 0.1
    ethylene glycol 19.36
    NMP 25.78
    cyclohexane 0.32
    DMSO 300.64
    n-butyl acetate 14.22
    n-octanol 8.28
    chloroform 38.45
    n-propyl acetate 20.47
    acetic acid 28.1
    dichloromethane 31.46
    cyclohexanone 41.25
    propylene glycol 43.48
    isopropyl acetate 17.48
    DMAc 125.77
    2-ethoxyethanol 89.86
    isopentanol 15.96
    n-heptane 0.25
    ethyl formate 14.46
    1,2-dichloroethane 23.01
    n-hexanol 9.58
    2-methoxyethanol 177.96
    isobutyl acetate 16.76
    tetrachloromethane 1.27
    n-pentyl acetate 11.7
    transcutol 227.83
    n-heptanol 7.16
    ethylbenzene 2.72
    MIBK 17.93
    2-propoxyethanol 74.76
    tert-butanol 26.51
    MTBE 17.08
    2-butoxyethanol 31.09
    propionic acid 22.68
    o-xylene 2.21
    formic acid 12.71
    diethyl ether 11.76
    m-xylene 2.16
    p-xylene 4.32
    chlorobenzene 7.3
    dimethyl carbonate 24.08
    n-octane 0.24
    formamide 32.59
    cyclopentanone 61.11
    2-pentanone 21.78
    anisole 22.84
    cyclopentyl methyl ether 24.86
    gamma-butyrolactone 67.0
    1-methoxy-2-propanol 121.71
    pyridine 42.34
    3-pentanone 18.34
    furfural 49.85
    n-dodecane 0.55
    diethylene glycol 96.71
    diisopropyl ether 3.41
    tert-amyl alcohol 19.89
    acetylacetone 43.74
    n-hexadecane 0.65
    acetophenone 19.85
    methyl propionate 30.78
    isopentyl acetate 17.4
    trichloroethylene 54.19
    n-nonanol 9.91
    cyclohexanol 15.59
    benzyl alcohol 23.45
    2-ethylhexanol 7.65
    isooctanol 7.55
    dipropyl ether 10.44
    1,2-dichlorobenzene 7.83
    ethyl lactate 21.19
    propylene carbonate 25.53
    n-methylformamide 30.45
    2-pentanol 10.09
    n-pentane 0.07
    1-propoxy-2-propanol 44.11
    1-methoxy-2-propyl acetate 36.66
    2-(2-methoxypropoxy) propanol 49.25
    mesitylene 1.49
    ε-caprolactone 36.28
    p-cymene 2.94
    epichlorohydrin 121.81
    1,1,1-trichloroethane 12.52
    2-aminoethanol 32.76
    morpholine-4-carbaldehyde 82.19
    sulfolane 80.24
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 61.13
    n-hexyl acetate 16.87
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 62.06
    sec-butyl acetate 15.32
    tert-butyl acetate 22.08
    decalin 0.49
    glycerin 92.82
    diglyme 114.27
    acrylic acid 22.17
    isopropyl myristate 10.42
    n-butyric acid 24.32
    acetyl acetate 17.47
    di(2-ethylhexyl) phthalate 11.27
    ethyl propionate 18.95
    nitromethane 76.25
    1,2-diethoxyethane 47.51
    benzonitrile 14.11
    trioctyl phosphate 7.52
    1-bromopropane 6.75
    gamma-valerolactone 94.29
    n-decanol 7.88
    triethyl phosphate 13.84
    4-methyl-2-pentanol 7.71
    propionitrile 15.21
    vinylene carbonate 22.39
    1,1,2-trichlorotrifluoroethane 85.43
    DMS 27.77
    cumene 2.54
    2-octanol 5.27
    2-hexanone 22.65
    octyl acetate 12.0
    limonene 3.61
    1,2-dimethoxyethane 122.34
    ethyl orthosilicate 13.04
    tributyl phosphate 10.25
    diacetone alcohol 43.43
    N,N-dimethylaniline 12.5
    acrylonitrile 24.77
    aniline 13.89
    1,3-propanediol 63.33
    bromobenzene 6.2
    dibromomethane 12.97
    1,1,2,2-tetrachloroethane 49.28
    2-methyl-cyclohexyl acetate 16.9
    tetrabutyl urea 14.45
    diisobutyl methanol 6.25
    2-phenylethanol 18.49
    styrene 3.67
    dioctyl adipate 18.14
    dimethyl sulfate 40.47
    ethyl butyrate 14.56
    methyl lactate 39.66
    butyl lactate 16.22
    diethyl carbonate 13.53
    propanediol butyl ether 31.81
    triethyl orthoformate 17.58
    p-tert-butyltoluene 2.81
    methyl 4-tert-butylbenzoate 21.59
    morpholine 142.48
    tert-butylamine 7.22
    n-dodecanol 6.25
    dimethoxymethane 100.84
    ethylene carbonate 19.3
    cyrene 39.66
    2-ethoxyethyl acetate 31.05
    2-ethylhexyl acetate 12.59
    1,2,4-trichlorobenzene 12.57
    4-methylpyridine 22.51
    dibutyl ether 13.23
    2,6-dimethyl-4-heptanol 6.25
    DEF 28.26
    dimethyl isosorbide 65.99
    tetrachloroethylene 18.69
    eugenol 26.0
    triacetin 29.34
    span 80 27.92
    1,4-butanediol 21.81
    1,1-dichloroethane 14.49
    2-methyl-1-pentanol 14.97
    methyl formate 25.37
    2-methyl-1-butanol 14.59
    n-decane 0.75
    butyronitrile 12.32
    3,7-dimethyl-1-octanol 10.3
    1-chlorooctane 4.13
    1-chlorotetradecane 2.23
    n-nonane 0.53
    undecane 0.63
    tert-butylcyclohexane 0.43
    cyclooctane 0.12
    cyclopentanol 24.44
    tetrahydropyran 50.15
    tert-amyl methyl ether 14.05
    2,5,8-trioxanonane 89.38
    1-hexene 1.09
    2-isopropoxyethanol 53.99
    2,2,2-trifluoroethanol 12.51
    methyl butyrate 22.08

    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