1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran

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  • Identifiers

    CAS number
    112209-54-8

    Molecular formula
    C26H20O11

    SMILES
    CC(=O)OC1=C(C=C2C(=C1)C3=C(O2)C(=C(C(=C3OC(=O)C)OC(=O)C)C4=CC=C(C=C4)O)OC(=O)C)O

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  • Odor profile

    Fragrance
    Odorless 49.59%
    Phenolic 46.15%
    Balsamic 31.32%
    Floral 30.62%
    Fruity 29.48%
    Burnt 26.97%
    Dry 26.17%
    Animal 25.87%
    Powdery 25.77%
    Woody 22.75%

     

    Flavor
    Bitter 55.33%
    Odorless 34.47%
    Mild 30.12%
    Sweet 25.89%
    Powdery 24.3%
    Bland 22.98%
    Heliotropin 21.4%
    Sweet-like 20.48%
    Orange blossom 20.43%
    Eugenol 20.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.83 (neutral)

    Molecular weight
    508.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    573°C

    Flash point

    • 306.78 ˚C est.

  • Synonyms

    • 1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran
    • CHEBI:169756
    • DTXSID701149010
    • 112209-54-8
    • [6,8,9-triacetyloxy-3-hydroxy-7-(4-hydroxyphenyl)dibenzouran-2-yl] acetate
    • 1,2,4,7,8-Dibenzofuranpentol, 3-(4-hydroxyphenyl)-, 1,2,4,8-tetraacetate
    • 7-Hydroxy-3-(4-hydroxyphenyl)dibenzo[b,d]furan-1,2,4,8-tetrayl tetraacetate
    • 112209-54-8

  • Applications

    1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran (CAS 112209-54-8) is primarily employed as an organic-synthesis intermediate and as a protected phenol: the tetraacetyl groups shield phenolic OH during multi-step sequences, enabling selective functionalization of the dibenzofuran core. After deprotection, it can serve as a versatile precursor for polyphenolic dyes and pigments used in coatings and inks, and may act as a building block for functionalized polymers or small-molecule materials used in specialty electronics. The compound may also be explored in pharmaceutical or agrochemical synthesis as an intermediate, depending on the target pathway and regulatory constraints; in all cases its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.1
    methanol 8.58
    isopropanol 5.89
    water 0.07
    ethyl acetate 18.68
    n-propanol 7.22
    acetone 48.03
    n-butanol 4.65
    acetonitrile 15.28
    DMF 151.9
    toluene 1.38
    isobutanol 4.2
    1,4-dioxane 49.34
    methyl acetate 38.81
    THF 101.24
    2-butanone 42.42
    n-pentanol 3.03
    sec-butanol 6.13
    n-hexane 0.1
    ethylene glycol 4.44
    NMP 198.33
    cyclohexane 0.17
    DMSO 276.03
    n-butyl acetate 9.87
    n-octanol 1.44
    chloroform 18.4
    n-propyl acetate 13.27
    acetic acid 46.23
    dichloromethane 23.38
    cyclohexanone 48.84
    propylene glycol 4.82
    isopropyl acetate 8.05
    DMAc 258.12
    2-ethoxyethanol 23.6
    isopentanol 3.16
    n-heptane 0.05
    ethyl formate 21.24
    1,2-dichloroethane 16.65
    n-hexanol 1.3
    2-methoxyethanol 47.36
    isobutyl acetate 4.98
    tetrachloromethane 1.08
    n-pentyl acetate 4.82
    transcutol 21.51
    n-heptanol 1.17
    ethylbenzene 0.89
    MIBK 4.97
    2-propoxyethanol 18.48
    tert-butanol 4.7
    MTBE 4.94
    2-butoxyethanol 9.84
    propionic acid 18.85
    o-xylene 0.96
    formic acid 20.66
    diethyl ether 6.83
    m-xylene 0.45
    p-xylene 1.46
    chlorobenzene 2.77
    dimethyl carbonate 23.48
    n-octane 0.04
    formamide 38.31
    cyclopentanone 79.99
    2-pentanone 15.74
    anisole 6.48
    cyclopentyl methyl ether 10.23
    gamma-butyrolactone 111.25
    1-methoxy-2-propanol 24.03
    pyridine 35.56
    3-pentanone 14.04
    furfural 69.52
    n-dodecane 0.06
    diethylene glycol 15.6
    diisopropyl ether 0.64
    tert-amyl alcohol 5.44
    acetylacetone 25.84
    n-hexadecane 0.07
    acetophenone 11.27
    methyl propionate 24.38
    isopentyl acetate 6.97
    trichloroethylene 31.47
    n-nonanol 1.66
    cyclohexanol 4.91
    benzyl alcohol 6.76
    2-ethylhexanol 1.04
    isooctanol 0.97
    dipropyl ether 2.96
    1,2-dichlorobenzene 2.66
    ethyl lactate 8.71
    propylene carbonate 35.62
    n-methylformamide 48.51
    2-pentanol 2.07
    n-pentane 0.08
    1-propoxy-2-propanol 10.96
    1-methoxy-2-propyl acetate 13.9
    2-(2-methoxypropoxy) propanol 14.27
    mesitylene 0.19
    ε-caprolactone 47.31
    p-cymene 0.43
    epichlorohydrin 86.63
    1,1,1-trichloroethane 6.81
    2-aminoethanol 6.87
    morpholine-4-carbaldehyde 130.73
    sulfolane 169.62
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 34.12
    n-hexyl acetate 5.71
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 13.22
    sec-butyl acetate 6.03
    tert-butyl acetate 6.13
    decalin 0.1
    glycerin 13.3
    diglyme 31.65
    acrylic acid 22.25
    isopropyl myristate 2.48
    n-butyric acid 17.15
    acetyl acetate 12.72
    di(2-ethylhexyl) phthalate 4.2
    ethyl propionate 13.69
    nitromethane 129.71
    1,2-diethoxyethane 8.84
    benzonitrile 6.77
    trioctyl phosphate 2.64
    1-bromopropane 5.42
    gamma-valerolactone 153.08
    n-decanol 1.25
    triethyl phosphate 7.04
    4-methyl-2-pentanol 0.89
    propionitrile 8.57
    vinylene carbonate 30.33
    1,1,2-trichlorotrifluoroethane 53.43
    DMS 12.22
    cumene 0.48
    2-octanol 0.82
    2-hexanone 12.71
    octyl acetate 3.96
    limonene 0.66
    1,2-dimethoxyethane 58.0
    ethyl orthosilicate 5.24
    tributyl phosphate 3.92
    diacetone alcohol 11.62
    N,N-dimethylaniline 4.1
    acrylonitrile 15.8
    aniline 6.0
    1,3-propanediol 12.93
    bromobenzene 1.92
    dibromomethane 11.02
    1,1,2,2-tetrachloroethane 25.08
    2-methyl-cyclohexyl acetate 7.18
    tetrabutyl urea 7.43
    diisobutyl methanol 0.61
    2-phenylethanol 4.07
    styrene 1.27
    dioctyl adipate 6.33
    dimethyl sulfate 60.23
    ethyl butyrate 8.81
    methyl lactate 17.77
    butyl lactate 5.51
    diethyl carbonate 8.06
    propanediol butyl ether 6.09
    triethyl orthoformate 7.43
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 7.23
    morpholine 58.55
    tert-butylamine 1.39
    n-dodecanol 0.97
    dimethoxymethane 48.57
    ethylene carbonate 25.82
    cyrene 23.79
    2-ethoxyethyl acetate 10.44
    2-ethylhexyl acetate 5.67
    1,2,4-trichlorobenzene 5.24
    4-methylpyridine 23.13
    dibutyl ether 2.68
    2,6-dimethyl-4-heptanol 0.61
    DEF 36.46
    dimethyl isosorbide 24.27
    tetrachloroethylene 11.13
    eugenol 7.61
    triacetin 9.81
    span 80 7.31
    1,4-butanediol 4.34
    1,1-dichloroethane 9.29
    2-methyl-1-pentanol 2.67
    methyl formate 44.94
    2-methyl-1-butanol 3.93
    n-decane 0.09
    butyronitrile 7.26
    3,7-dimethyl-1-octanol 1.18
    1-chlorooctane 0.59
    1-chlorotetradecane 0.32
    n-nonane 0.07
    undecane 0.07
    tert-butylcyclohexane 0.05
    cyclooctane 0.03
    cyclopentanol 9.84
    tetrahydropyran 21.72
    tert-amyl methyl ether 4.85
    2,5,8-trioxanonane 24.03
    1-hexene 0.68
    2-isopropoxyethanol 11.42
    2,2,2-trifluoroethanol 22.87
    methyl butyrate 19.56

    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