Dibenzofuran

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  • Identifiers

    CAS number
    132-64-9

    Molecular formula
    C12H8O

    SMILES
    C1=CC=C2C(=C1)C3=CC=CC=C3O2

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Pungent 45.66%
    Floral 43.23%
    Phenolic 40.08%
    Animal 38.83%
    Burnt 38.48%
    Metallic 32.59%
    Earthy 30.87%
    Musty 30.73%
    Medicinal 30.48%
    Geranium 30.03%

    Scent© AI

    Odor threshold>

    • Odor threshold low = 0.7752 mg/m3
    • Odor low= 0.7752 mg/cu m; odor high= 1.6150 mg/cu m
    • Odor detection in air= 1.2x10-1 ppm, purity= chemically pure.
    • Odor detection in air= 2.5x10-1 ppm, purity= chemically pure.

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 187 to 189 °F (NTP, 1992)
    • 86.5 °C

    Boiling point

    • 549 °F at 760 mmHg (NTP, 1992)
    • 287 °C @ 760 mm Hg

    Flash point est.
    133.74 ˚C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Sol in alcohol and acetone; very soluble in ether
    • Readily soluble in benzene and acetic acid
    • In water, 3.1 mg/l @ 25 °C

  • Synonyms

    • dibenzofuran
    • Dibenzo[b,d]furan
    • 132-64-9
    • diphenylene oxide
    • 2,2'-Biphenylene oxide
    • 2,2'-Biphenylylene oxide
    • Dibenzo(b,d)furan
    • Dibenzofurans
    • Dibenzol(b,d)furan
    • dibenzofurane
    • (1,1'-Biphenyl)-2,2'-diyl oxide
    • [1,1'-Biphenyl]-2,2'-diyl oxide
    • CCRIS 1436
    • HSDB 2163
    • NSC 1245
    • EINECS 205-071-3
    • UNII-8U54U639VI
    • DTXSID2021993
    • CHEBI:28145
    • AI3-00039
    • 8U54U639VI
    • NSC-1245
    • DIBENZOFURAN [MI]
    • DIBENZOFURAN [HSDB]
    • DTXCID801993
    • CAS-132-64-9
    • dibenzo[bd]furan
    • MFCD00004968
    • Dibenzofuran, 98%
    • [1,2'-diyl oxide
    • 2,2'Biphenylene oxide
    • 2,2'Biphenylylene oxide
    • bmse000548
    • SCHEMBL8207
    • CHEMBL277497
    • Dibenzofuran, analytical standard
    • NSC1245
    • (1,1'Biphenyl)2,2'diyl oxide
    • DIBENZO (b,d) FURAN (purity)
    • Tox21_202116
    • Tox21_300052
    • BDBM50408362
    • STL185574
    • AKOS000120971
    • CS-W017802
    • FD05767
    • HY-W017086
    • PS-5378
    • NCGC00164102-01
    • NCGC00164102-02
    • NCGC00164102-03
    • NCGC00254221-01
    • NCGC00259665-01
    • AC-19766
    • Dibenzofuran D8 10 mug/mL in Cyclohexane
    • DB-042123
    • D0147
    • NS00010742
    • EN300-18022
    • C07729
    • Q419513
    • doi:10.14272/TXCDCPKCNAJMEE-UHFFFAOYSA-N.1
    • Z57127512
    • Dibenzo[b,d]furan, BCR(R) certified Reference Material
    • 8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
    • 8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
    • 1IT
    • 205-071-3

  • Applications

    Dibenzofuran (CAS 132-64-9) is widely used as an intermediate and rigid heteroaromatic scaffold for the synthesis of pharmaceuticals and agrochemicals; a precursor to dyes, fluorophores and optical brighteners; a structural unit in organic electronic materials (OLED hosts/emitters and charge‑transport layers) and for tuning color and photostability of luminophores; a building block for high‑performance polymers such as polyimides, epoxies and heat‑resistant resins to enhance thermal stability, rigidity and transparency; a ligand/linker in coordination chemistry and for constructing metal–organic frameworks (MOFs); an analytical standard/internal surrogate in GC/MS and HPLC; a model substrate in studies of catalytic hydrodeoxygenation of bio‑oil, photocatalytic oxidation and dioxin/furan formation pathways; and a combustion tracer in environmental monitoring, with its derivatives also used in photoresists, UV‑curable adhesives and functional coatings.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.16
    methanol 67.17
    isopropanol 83.25
    water 1.01
    ethyl acetate 437.61
    n-propanol 96.54
    acetone 518.61
    n-butanol 91.26
    acetonitrile 216.05
    DMF 740.62
    toluene 347.16
    isobutanol 78.46
    1,4-dioxane 579.5
    methyl acetate 443.51
    THF 767.55
    2-butanone 391.81
    n-pentanol 84.21
    sec-butanol 84.51
    n-hexane 93.36
    ethylene glycol 33.62
    NMP 655.99
    cyclohexane 150.16
    DMSO 524.11
    n-butyl acetate 416.61
    n-octanol 195.57
    chloroform 1448.93
    n-propyl acetate 391.32
    acetic acid 152.78
    dichloromethane 1821.0
    cyclohexanone 654.7
    propylene glycol 29.6
    isopropyl acetate 272.73
    DMAc 568.88
    2-ethoxyethanol 146.81
    isopentanol 82.77
    n-heptane 114.9
    ethyl formate 376.69
    1,2-dichloroethane 1062.2
    n-hexanol 138.43
    2-methoxyethanol 184.82
    isobutyl acetate 286.35
    tetrachloromethane 301.83
    n-pentyl acetate 332.95
    transcutol 448.78
    n-heptanol 127.34
    ethylbenzene 301.24
    MIBK 214.4
    2-propoxyethanol 200.71
    tert-butanol 97.6
    MTBE 153.53
    2-butoxyethanol 181.84
    propionic acid 174.67
    o-xylene 241.68
    formic acid 23.59
    diethyl ether 275.38
    m-xylene 237.29
    p-xylene 349.79
    chlorobenzene 467.24
    dimethyl carbonate 324.39
    n-octane 84.17
    formamide 97.17
    cyclopentanone 823.07
    2-pentanone 346.49
    anisole 385.74
    cyclopentyl methyl ether 370.94
    gamma-butyrolactone 928.16
    1-methoxy-2-propanol 140.1
    pyridine 672.06
    3-pentanone 351.1
    furfural 612.91
    n-dodecane 63.36
    diethylene glycol 131.05
    diisopropyl ether 119.26
    tert-amyl alcohol 89.9
    acetylacetone 469.95
    n-hexadecane 72.58
    acetophenone 399.23
    methyl propionate 394.3
    isopentyl acetate 305.93
    trichloroethylene 1631.06
    n-nonanol 168.33
    cyclohexanol 142.74
    benzyl alcohol 198.85
    2-ethylhexanol 150.03
    isooctanol 110.16
    dipropyl ether 303.7
    1,2-dichlorobenzene 459.75
    ethyl lactate 154.33
    propylene carbonate 579.34
    n-methylformamide 284.42
    2-pentanol 75.86
    n-pentane 67.71
    1-propoxy-2-propanol 174.44
    1-methoxy-2-propyl acetate 286.93
    2-(2-methoxypropoxy) propanol 192.73
    mesitylene 162.31
    ε-caprolactone 565.38
    p-cymene 191.26
    epichlorohydrin 841.58
    1,1,1-trichloroethane 708.5
    2-aminoethanol 48.91
    morpholine-4-carbaldehyde 572.04
    sulfolane 815.5
    2,2,4-trimethylpentane 30.76
    2-methyltetrahydrofuran 452.8
    n-hexyl acetate 464.42
    isooctane 27.43
    2-(2-butoxyethoxy)ethanol 242.47
    sec-butyl acetate 252.36
    tert-butyl acetate 230.5
    decalin 91.71
    glycerin 43.65
    diglyme 561.66
    acrylic acid 161.04
    isopropyl myristate 197.49
    n-butyric acid 222.16
    acetyl acetate 320.76
    di(2-ethylhexyl) phthalate 134.25
    ethyl propionate 397.31
    nitromethane 421.93
    1,2-diethoxyethane 381.48
    benzonitrile 307.04
    trioctyl phosphate 117.02
    1-bromopropane 498.23
    gamma-valerolactone 687.38
    n-decanol 136.75
    triethyl phosphate 168.54
    4-methyl-2-pentanol 57.63
    propionitrile 216.71
    vinylene carbonate 580.79
    1,1,2-trichlorotrifluoroethane 310.85
    DMS 418.24
    cumene 204.12
    2-octanol 128.04
    2-hexanone 320.65
    octyl acetate 239.92
    limonene 215.54
    1,2-dimethoxyethane 527.6
    ethyl orthosilicate 148.76
    tributyl phosphate 145.59
    diacetone alcohol 169.68
    N,N-dimethylaniline 300.87
    acrylonitrile 300.02
    aniline 216.22
    1,3-propanediol 72.32
    bromobenzene 586.97
    dibromomethane 1197.71
    1,1,2,2-tetrachloroethane 1024.44
    2-methyl-cyclohexyl acetate 249.17
    tetrabutyl urea 215.6
    diisobutyl methanol 104.09
    2-phenylethanol 204.96
    styrene 350.61
    dioctyl adipate 260.7
    dimethyl sulfate 407.69
    ethyl butyrate 390.31
    methyl lactate 138.97
    butyl lactate 173.92
    diethyl carbonate 290.8
    propanediol butyl ether 134.93
    triethyl orthoformate 222.73
    p-tert-butyltoluene 156.76
    methyl 4-tert-butylbenzoate 274.58
    morpholine 423.77
    tert-butylamine 79.85
    n-dodecanol 116.85
    dimethoxymethane 488.37
    ethylene carbonate 504.08
    cyrene 196.5
    2-ethoxyethyl acetate 369.23
    2-ethylhexyl acetate 284.61
    1,2,4-trichlorobenzene 468.45
    4-methylpyridine 540.62
    dibutyl ether 358.2
    2,6-dimethyl-4-heptanol 104.09
    DEF 465.41
    dimethyl isosorbide 357.48
    tetrachloroethylene 835.8
    eugenol 249.62
    triacetin 369.4
    span 80 166.1
    1,4-butanediol 48.31
    1,1-dichloroethane 716.94
    2-methyl-1-pentanol 88.37
    methyl formate 319.32
    2-methyl-1-butanol 78.21
    n-decane 102.75
    butyronitrile 234.36
    3,7-dimethyl-1-octanol 140.92
    1-chlorooctane 272.5
    1-chlorotetradecane 114.11
    n-nonane 112.64
    undecane 77.51
    tert-butylcyclohexane 72.24
    cyclooctane 77.67
    cyclopentanol 175.65
    tetrahydropyran 468.14
    tert-amyl methyl ether 141.65
    2,5,8-trioxanonane 352.26
    1-hexene 205.75
    2-isopropoxyethanol 132.95
    2,2,2-trifluoroethanol 99.04
    methyl butyrate 497.55

    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

Botanical

Name CAS Botanical Proportion
Artemisia monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 36.0%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 0.2%