7-Hydroxy-6-Methoxy-alpha-pyrufuran

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  • Identifiers

    CAS number
    167278-45-7

    Molecular formula
    C16H16O7

    SMILES
    COC1=C(C=CC2=C1OC3=C2C(=C(C(=C3OC)OC)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 63.39%
    Spicy 51.85%
    Smoky 48.52%
    Burnt 44.61%
    Vanilla 39.27%
    Woody 38.94%
    Balsamic 35.89%
    Medicinal 29.07%
    Powdery 26.86%
    Leathery 24.14%

     

    Flavor
    Bitter 70.43%
    Bland 27.15%
    Eugenol 23.99%
    Parsley 22.87%
    Phenolic 21.58%
    Smoke 21.1%
    Spice 20.86%
    Sweet-like 20.77%
    Smoky 20.42%
    Allspice 20.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.14 (weak base)

    Molecular weight
    320.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    723°C

    Flash point

    • 234.63 ˚C est.

  • Synonyms

    • 7-Hydroxy-6-Methoxy-alpha-pyrufuran
    • 1,3,4,6-Tetramethoxy-2,7-dibenzofurandiol
    • 7-Hydroxy-6-methoxy-a-pyrufuran
    • CHEBI:168014
    • DTXSID801269540
    • 167278-45-7
    • 1,3,4,6-tetramethoxydibenzouran-2,7-diol
    • 2,7-Dihydroxy-1,3,4,6-tetramethoxydibenzofuran
    • 1,3,4,6-Tetramethoxydibenzo[b,d]furan-2,7-diol
    • 3,5,6,10-tetramethoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4,11-diol
    • 167278-45-7

  • Applications

    7-Hydroxy-6-Methoxy-alpha-pyrufuran (CAS 167278-45-7) is viewed as an important organic synthesis intermediate for constructing a range of other compounds. In practice, it commonly serves as a component or precursor for compounds in the fragrance and cosmetics field, and may be considered for use in personal care formulations as a fragrance ingredient. It is also evaluated as a specialty intermediate in coatings and inks, and can function as a building block in polymer and plastics syntheses. Additionally, it may be considered for use in cleaning formulations as a reactive intermediate. Real-world applications depend on local regulatory constraints and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.32
    methanol 3.42
    isopropanol 2.17
    water 0.06
    ethyl acetate 8.7
    n-propanol 2.88
    acetone 7.66
    n-butanol 2.66
    acetonitrile 4.41
    DMF 27.78
    toluene 1.1
    isobutanol 2.29
    1,4-dioxane 8.8
    methyl acetate 9.41
    THF 16.88
    2-butanone 7.52
    n-pentanol 2.72
    sec-butanol 2.59
    n-hexane 0.28
    ethylene glycol 3.71
    NMP 47.63
    cyclohexane 0.54
    DMSO 30.98
    n-butyl acetate 8.77
    n-octanol 3.08
    chloroform 11.46
    n-propyl acetate 6.97
    acetic acid 13.91
    dichloromethane 14.33
    cyclohexanone 14.0
    propylene glycol 1.89
    isopropyl acetate 5.63
    DMAc 34.21
    2-ethoxyethanol 10.65
    isopentanol 2.9
    n-heptane 0.54
    ethyl formate 8.22
    1,2-dichloroethane 11.78
    n-hexanol 4.07
    2-methoxyethanol 16.35
    isobutyl acetate 4.18
    tetrachloromethane 3.25
    n-pentyl acetate 8.19
    transcutol 16.53
    n-heptanol 3.76
    ethylbenzene 1.42
    MIBK 4.74
    2-propoxyethanol 15.05
    tert-butanol 3.46
    MTBE 2.92
    2-butoxyethanol 10.6
    propionic acid 7.22
    o-xylene 1.77
    formic acid 11.08
    diethyl ether 3.54
    m-xylene 1.1
    p-xylene 1.76
    chlorobenzene 3.39
    dimethyl carbonate 11.59
    n-octane 0.4
    formamide 18.25
    cyclopentanone 19.04
    2-pentanone 6.44
    anisole 3.74
    cyclopentyl methyl ether 6.6
    gamma-butyrolactone 29.67
    1-methoxy-2-propanol 10.06
    pyridine 9.5
    3-pentanone 6.43
    furfural 30.01
    n-dodecane 0.4
    diethylene glycol 18.72
    diisopropyl ether 1.35
    tert-amyl alcohol 3.9
    acetylacetone 11.01
    n-hexadecane 0.46
    acetophenone 8.65
    methyl propionate 10.63
    isopentyl acetate 8.44
    trichloroethylene 21.11
    n-nonanol 3.42
    cyclohexanol 4.35
    benzyl alcohol 5.6
    2-ethylhexanol 4.01
    isooctanol 3.56
    dipropyl ether 3.51
    1,2-dichlorobenzene 6.02
    ethyl lactate 7.84
    propylene carbonate 17.92
    n-methylformamide 14.06
    2-pentanol 2.09
    n-pentane 0.3
    1-propoxy-2-propanol 10.07
    1-methoxy-2-propyl acetate 13.27
    2-(2-methoxypropoxy) propanol 10.8
    mesitylene 0.91
    ε-caprolactone 16.88
    p-cymene 2.8
    epichlorohydrin 24.63
    1,1,1-trichloroethane 6.76
    2-aminoethanol 4.0
    morpholine-4-carbaldehyde 37.55
    sulfolane 47.65
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 9.44
    n-hexyl acetate 7.8
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 11.31
    sec-butyl acetate 4.45
    tert-butyl acetate 6.75
    decalin 0.54
    glycerin 7.87
    diglyme 22.53
    acrylic acid 10.59
    isopropyl myristate 3.53
    n-butyric acid 8.38
    acetyl acetate 8.38
    di(2-ethylhexyl) phthalate 5.53
    ethyl propionate 7.0
    nitromethane 28.88
    1,2-diethoxyethane 7.3
    benzonitrile 6.06
    trioctyl phosphate 4.76
    1-bromopropane 3.85
    gamma-valerolactone 30.95
    n-decanol 2.67
    triethyl phosphate 8.54
    4-methyl-2-pentanol 1.89
    propionitrile 4.65
    vinylene carbonate 17.71
    1,1,2-trichlorotrifluoroethane 37.28
    DMS 13.46
    cumene 1.52
    2-octanol 2.74
    2-hexanone 5.96
    octyl acetate 4.88
    limonene 3.63
    1,2-dimethoxyethane 16.38
    ethyl orthosilicate 7.3
    tributyl phosphate 5.61
    diacetone alcohol 10.52
    N,N-dimethylaniline 4.46
    acrylonitrile 8.26
    aniline 3.81
    1,3-propanediol 6.41
    bromobenzene 2.73
    dibromomethane 7.68
    1,1,2,2-tetrachloroethane 17.18
    2-methyl-cyclohexyl acetate 8.41
    tetrabutyl urea 7.86
    diisobutyl methanol 2.67
    2-phenylethanol 7.69
    styrene 1.45
    dioctyl adipate 6.35
    dimethyl sulfate 27.5
    ethyl butyrate 7.21
    methyl lactate 11.98
    butyl lactate 8.4
    diethyl carbonate 6.88
    propanediol butyl ether 7.4
    triethyl orthoformate 7.28
    p-tert-butyltoluene 2.55
    methyl 4-tert-butylbenzoate 10.78
    morpholine 12.23
    tert-butylamine 1.97
    n-dodecanol 2.12
    dimethoxymethane 15.69
    ethylene carbonate 14.01
    cyrene 17.91
    2-ethoxyethyl acetate 12.77
    2-ethylhexyl acetate 7.68
    1,2,4-trichlorobenzene 7.82
    4-methylpyridine 6.92
    dibutyl ether 3.05
    2,6-dimethyl-4-heptanol 2.67
    DEF 14.81
    dimethyl isosorbide 20.67
    tetrachloroethylene 17.05
    eugenol 11.26
    triacetin 11.82
    span 80 8.41
    1,4-butanediol 3.2
    1,1-dichloroethane 5.44
    2-methyl-1-pentanol 3.21
    methyl formate 13.29
    2-methyl-1-butanol 2.87
    n-decane 0.6
    butyronitrile 3.99
    3,7-dimethyl-1-octanol 2.98
    1-chlorooctane 2.25
    1-chlorotetradecane 1.17
    n-nonane 0.5
    undecane 0.47
    tert-butylcyclohexane 0.4
    cyclooctane 0.28
    cyclopentanol 5.3
    tetrahydropyran 5.37
    tert-amyl methyl ether 3.59
    2,5,8-trioxanonane 16.68
    1-hexene 0.94
    2-isopropoxyethanol 7.53
    2,2,2-trifluoroethanol 13.91
    methyl butyrate 9.36

    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