2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran

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  • Identifiers

    CAS number
    167278-42-4

    Molecular formula
    C15H14O6

    SMILES
    COC1=C(C=C2C3=CC(=C(C(=C3OC2=C1)OC)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 66.74%
    Spicy 52.11%
    Smoky 49.06%
    Vanilla 45.93%
    Burnt 44.61%
    Balsamic 38.21%
    Woody 38.16%
    Medicinal 30.18%
    Powdery 30.16%
    Sweet 26.53%

     

    Flavor
    Bitter 77.38%
    Bland 26.07%
    Eugenol 23.75%
    Parsley 22.4%
    Sweet-like 20.64%
    Allspice 20.21%
    Ham 20.18%
    Phenolic 20.09%
    Flat 19.86%
    Cedarleaf 19.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.87 (weak base)

    Molecular weight
    290.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    577°C

    Flash point

    • 235.71 ˚C est.

  • Synonyms

    • 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran
    • 3,4,7-trimethoxydibenzofuran-2,8-diol
    • 167278-42-4
    • 3,4,7-trimethoxydibenzo[b,d]furan-2,8-diol
    • C08742
    • CHEBI:961
    • SCHEMBL4742797
    • DTXSID00331629
    • 3,4,7-trimethoxy-2,8-dibenzofurandiol
    • 2,8-Dihydroxy-3,4,7-trimethoxy-dibenzofuran
    • Q27105383
    • 167278-42-4

  • Applications

    2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran (CAS 167278-42-4) is used as an intermediate or building block in the synthesis of specialty chemicals for pharmaceuticals and agrochemicals; it may also serve as a precursor for dye and pigment materials and for fragrance-related compounds in perfumery; in the polymers, coatings and adhesives sector it can function as an antioxidant and stabilizer to improve material longevity; in cosmetics and personal care it may be explored as a precursor for functional ingredients or antioxidant-related components; and as a building block for organic electronic or photonic materials in certain industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.64
    methanol 2.63
    isopropanol 1.88
    water 0.03
    ethyl acetate 5.32
    n-propanol 2.36
    acetone 7.2
    n-butanol 2.17
    acetonitrile 3.13
    DMF 26.69
    toluene 0.78
    isobutanol 1.97
    1,4-dioxane 10.12
    methyl acetate 6.58
    THF 23.92
    2-butanone 6.49
    n-pentanol 2.69
    sec-butanol 2.02
    n-hexane 0.23
    ethylene glycol 2.67
    NMP 24.93
    cyclohexane 0.4
    DMSO 42.7
    n-butyl acetate 7.01
    n-octanol 3.73
    chloroform 5.98
    n-propyl acetate 6.58
    acetic acid 8.62
    dichloromethane 7.8
    cyclohexanone 11.13
    propylene glycol 1.3
    isopropyl acetate 4.27
    DMAc 32.0
    2-ethoxyethanol 12.59
    isopentanol 2.8
    n-heptane 0.49
    ethyl formate 5.31
    1,2-dichloroethane 7.73
    n-hexanol 4.23
    2-methoxyethanol 16.19
    isobutyl acetate 4.89
    tetrachloromethane 1.41
    n-pentyl acetate 7.39
    transcutol 18.48
    n-heptanol 4.25
    ethylbenzene 1.18
    MIBK 4.6
    2-propoxyethanol 16.8
    tert-butanol 4.1
    MTBE 3.13
    2-butoxyethanol 11.84
    propionic acid 4.03
    o-xylene 1.38
    formic acid 6.71
    diethyl ether 3.0
    m-xylene 0.91
    p-xylene 1.77
    chlorobenzene 2.02
    dimethyl carbonate 8.34
    n-octane 0.5
    formamide 13.39
    cyclopentanone 17.06
    2-pentanone 5.19
    anisole 3.86
    cyclopentyl methyl ether 6.19
    gamma-butyrolactone 22.05
    1-methoxy-2-propanol 9.4
    pyridine 7.96
    3-pentanone 5.04
    furfural 20.39
    n-dodecane 0.5
    diethylene glycol 19.58
    diisopropyl ether 1.28
    tert-amyl alcohol 3.84
    acetylacetone 9.08
    n-hexadecane 0.58
    acetophenone 7.62
    methyl propionate 7.08
    isopentyl acetate 7.46
    trichloroethylene 11.74
    n-nonanol 4.3
    cyclohexanol 3.55
    benzyl alcohol 4.83
    2-ethylhexanol 3.92
    isooctanol 4.12
    dipropyl ether 3.81
    1,2-dichlorobenzene 3.75
    ethyl lactate 5.93
    propylene carbonate 10.37
    n-methylformamide 10.37
    2-pentanol 1.66
    n-pentane 0.17
    1-propoxy-2-propanol 10.02
    1-methoxy-2-propyl acetate 11.16
    2-(2-methoxypropoxy) propanol 12.03
    mesitylene 0.82
    ε-caprolactone 11.63
    p-cymene 2.5
    epichlorohydrin 22.23
    1,1,1-trichloroethane 3.84
    2-aminoethanol 3.12
    morpholine-4-carbaldehyde 28.88
    sulfolane 33.94
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 9.31
    n-hexyl acetate 7.46
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 13.37
    sec-butyl acetate 4.3
    tert-butyl acetate 6.33
    decalin 0.42
    glycerin 6.32
    diglyme 26.07
    acrylic acid 5.57
    isopropyl myristate 3.98
    n-butyric acid 4.97
    acetyl acetate 4.62
    di(2-ethylhexyl) phthalate 5.2
    ethyl propionate 5.82
    nitromethane 19.79
    1,2-diethoxyethane 8.59
    benzonitrile 4.85
    trioctyl phosphate 4.56
    1-bromopropane 2.71
    gamma-valerolactone 26.01
    n-decanol 3.41
    triethyl phosphate 7.03
    4-methyl-2-pentanol 1.79
    propionitrile 3.84
    vinylene carbonate 9.64
    1,1,2-trichlorotrifluoroethane 23.86
    DMS 9.9
    cumene 1.44
    2-octanol 3.18
    2-hexanone 6.63
    octyl acetate 5.05
    limonene 3.07
    1,2-dimethoxyethane 22.68
    ethyl orthosilicate 6.6
    tributyl phosphate 5.16
    diacetone alcohol 9.69
    N,N-dimethylaniline 4.51
    acrylonitrile 6.41
    aniline 2.56
    1,3-propanediol 5.33
    bromobenzene 1.65
    dibromomethane 4.28
    1,1,2,2-tetrachloroethane 10.19
    2-methyl-cyclohexyl acetate 7.78
    tetrabutyl urea 8.11
    diisobutyl methanol 2.89
    2-phenylethanol 7.18
    styrene 1.09
    dioctyl adipate 6.23
    dimethyl sulfate 18.75
    ethyl butyrate 6.11
    methyl lactate 7.11
    butyl lactate 6.96
    diethyl carbonate 5.66
    propanediol butyl ether 7.21
    triethyl orthoformate 6.63
    p-tert-butyltoluene 2.34
    methyl 4-tert-butylbenzoate 10.16
    morpholine 12.82
    tert-butylamine 2.1
    n-dodecanol 2.76
    dimethoxymethane 18.33
    ethylene carbonate 8.34
    cyrene 15.07
    2-ethoxyethyl acetate 11.63
    2-ethylhexyl acetate 6.42
    1,2,4-trichlorobenzene 4.86
    4-methylpyridine 5.37
    dibutyl ether 3.84
    2,6-dimethyl-4-heptanol 2.89
    DEF 10.76
    dimethyl isosorbide 20.06
    tetrachloroethylene 9.15
    eugenol 11.57
    triacetin 9.68
    span 80 8.18
    1,4-butanediol 2.84
    1,1-dichloroethane 3.08
    2-methyl-1-pentanol 3.25
    methyl formate 10.02
    2-methyl-1-butanol 2.44
    n-decane 0.75
    butyronitrile 3.27
    3,7-dimethyl-1-octanol 3.52
    1-chlorooctane 2.52
    1-chlorotetradecane 1.38
    n-nonane 0.6
    undecane 0.59
    tert-butylcyclohexane 0.36
    cyclooctane 0.22
    cyclopentanol 4.14
    tetrahydropyran 5.25
    tert-amyl methyl ether 3.53
    2,5,8-trioxanonane 20.36
    1-hexene 0.86
    2-isopropoxyethanol 9.0
    2,2,2-trifluoroethanol 8.54
    methyl butyrate 7.92

    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