2,3'-Bifuran

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  • Identifiers

    CAS number
    27521-86-4

    Molecular formula
    C8H6O2

    SMILES
    C1=COC(=C1)C2=COC=C2

    Safety labels

  • Odor profile

    Fragrance
    Burnt 67.36%
    Sweet 66.24%
    Coffee 49.2%
    Ethereal 48.13%
    Spicy 44.68%
    Nutty 41.75%
    Roasted 39.76%
    Smoky 38.14%
    Pungent 37.69%
    Musty 33.56%

     

    Flavor
    Sweet 58.77%
    Coffee 51.39%
    Bitter 40.49%
    Nutty 39.85%
    Tobacco 31.43%
    Green 31.34%
    Musty 30.54%
    Burnt 28.08%
    Tonka 27.96%
    Earthy 27.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.72 (weak acid)

    Molecular weight
    134.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 62.87 ˚C est.

  • Synonyms

    • 2,3'-Bifuran
    • 27521-86-4
    • DTXSID00610789
    • RefChem:243682
    • DTXCID40561544
    • SCHEMBL22640
    • SCHEMBL640694
    • SCHEMBL769698
    • SCHEMBL9454116
    • SCHEMBL9454247
    • SCHEMBL28757599
    • 27521-86-4

  • Applications

    2,3'-Bifuran (CAS 27521-86-4) is primarily used as an organic synthesis intermediate, serving as a building block for more complex furan-containing compounds. It is commonly employed as a precursor in the preparation of conjugated polymers and organic electronic materials, leveraging its furan-based structure to modulate properties such as stability and electronic communication. It can also serve as a precursor in the synthesis of dyes and pigments and in specialty coatings and adhesives that incorporate furan fragments. In research and development, 2,3'-Bifuran is used as a reference material or starting point for new material architectures. Its use may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 366.99
    methanol 496.42
    isopropanol 280.35
    water 9.55
    ethyl acetate 265.51
    n-propanol 302.79
    acetone 547.52
    n-butanol 244.9
    acetonitrile 387.58
    DMF 972.93
    toluene 132.41
    isobutanol 238.74
    1,4-dioxane 676.29
    methyl acetate 343.12
    THF 696.82
    2-butanone 369.48
    n-pentanol 206.93
    sec-butanol 237.74
    n-hexane 32.5
    ethylene glycol 333.72
    NMP 690.34
    cyclohexane 33.92
    DMSO 1316.54
    n-butyl acetate 108.41
    n-octanol 113.23
    chloroform 510.29
    n-propyl acetate 171.96
    acetic acid 341.47
    dichloromethane 555.71
    cyclohexanone 345.08
    propylene glycol 264.61
    isopropyl acetate 160.61
    DMAc 731.56
    2-ethoxyethanol 469.77
    isopentanol 202.3
    n-heptane 31.2
    ethyl formate 194.91
    1,2-dichloroethane 403.01
    n-hexanol 165.76
    2-methoxyethanol 686.68
    isobutyl acetate 123.99
    tetrachloromethane 96.8
    n-pentyl acetate 95.77
    transcutol 743.53
    n-heptanol 93.75
    ethylbenzene 80.21
    MIBK 205.63
    2-propoxyethanol 368.78
    tert-butanol 307.2
    MTBE 241.28
    2-butoxyethanol 207.95
    propionic acid 279.69
    o-xylene 103.06
    formic acid 179.78
    diethyl ether 280.4
    m-xylene 101.64
    p-xylene 98.92
    chlorobenzene 169.92
    dimethyl carbonate 203.83
    n-octane 16.29
    formamide 305.65
    cyclopentanone 527.38
    2-pentanone 298.41
    anisole 234.86
    cyclopentyl methyl ether 311.85
    gamma-butyrolactone 513.62
    1-methoxy-2-propanol 495.35
    pyridine 354.47
    3-pentanone 249.6
    furfural 444.52
    n-dodecane 19.38
    diethylene glycol 435.38
    diisopropyl ether 96.81
    tert-amyl alcohol 241.87
    acetylacetone 342.73
    n-hexadecane 21.18
    acetophenone 189.99
    methyl propionate 284.88
    isopentyl acetate 106.04
    trichloroethylene 566.75
    n-nonanol 100.65
    cyclohexanol 200.26
    benzyl alcohol 186.59
    2-ethylhexanol 99.47
    isooctanol 83.2
    dipropyl ether 136.04
    1,2-dichlorobenzene 151.07
    ethyl lactate 134.96
    propylene carbonate 243.17
    n-methylformamide 454.63
    2-pentanol 170.32
    n-pentane 32.84
    1-propoxy-2-propanol 215.98
    1-methoxy-2-propyl acetate 165.16
    2-(2-methoxypropoxy) propanol 215.42
    mesitylene 74.43
    ε-caprolactone 269.11
    p-cymene 59.47
    epichlorohydrin 635.48
    1,1,1-trichloroethane 307.39
    2-aminoethanol 345.55
    morpholine-4-carbaldehyde 678.72
    sulfolane 717.15
    2,2,4-trimethylpentane 28.16
    2-methyltetrahydrofuran 421.9
    n-hexyl acetate 148.64
    isooctane 25.34
    2-(2-butoxyethoxy)ethanol 269.6
    sec-butyl acetate 116.33
    tert-butyl acetate 172.88
    decalin 30.84
    glycerin 401.59
    diglyme 503.06
    acrylic acid 290.0
    isopropyl myristate 78.07
    n-butyric acid 247.16
    acetyl acetate 169.15
    di(2-ethylhexyl) phthalate 76.35
    ethyl propionate 165.82
    nitromethane 603.6
    1,2-diethoxyethane 186.62
    benzonitrile 172.52
    trioctyl phosphate 60.5
    1-bromopropane 213.71
    gamma-valerolactone 555.75
    n-decanol 82.99
    triethyl phosphate 75.42
    4-methyl-2-pentanol 120.61
    propionitrile 269.89
    vinylene carbonate 226.69
    1,1,2-trichlorotrifluoroethane 425.98
    DMS 156.42
    cumene 68.27
    2-octanol 70.38
    2-hexanone 195.09
    octyl acetate 91.7
    limonene 81.06
    1,2-dimethoxyethane 586.53
    ethyl orthosilicate 72.05
    tributyl phosphate 65.24
    diacetone alcohol 248.13
    N,N-dimethylaniline 174.21
    acrylonitrile 362.18
    aniline 202.38
    1,3-propanediol 359.79
    bromobenzene 168.52
    dibromomethane 349.14
    1,1,2,2-tetrachloroethane 429.65
    2-methyl-cyclohexyl acetate 98.78
    tetrabutyl urea 96.37
    diisobutyl methanol 78.36
    2-phenylethanol 141.64
    styrene 102.04
    dioctyl adipate 106.16
    dimethyl sulfate 343.45
    ethyl butyrate 115.97
    methyl lactate 218.84
    butyl lactate 92.87
    diethyl carbonate 88.62
    propanediol butyl ether 207.61
    triethyl orthoformate 89.77
    p-tert-butyltoluene 61.05
    methyl 4-tert-butylbenzoate 166.35
    morpholine 646.44
    tert-butylamine 190.03
    n-dodecanol 70.65
    dimethoxymethane 565.47
    ethylene carbonate 183.34
    cyrene 221.28
    2-ethoxyethyl acetate 143.42
    2-ethylhexyl acetate 82.44
    1,2,4-trichlorobenzene 185.78
    4-methylpyridine 300.95
    dibutyl ether 109.76
    2,6-dimethyl-4-heptanol 78.36
    DEF 374.09
    dimethyl isosorbide 270.7
    tetrachloroethylene 275.28
    eugenol 168.85
    triacetin 168.9
    span 80 159.28
    1,4-butanediol 226.28
    1,1-dichloroethane 359.31
    2-methyl-1-pentanol 171.72
    methyl formate 339.63
    2-methyl-1-butanol 201.43
    n-decane 25.5
    butyronitrile 222.02
    3,7-dimethyl-1-octanol 114.97
    1-chlorooctane 78.81
    1-chlorotetradecane 42.8
    n-nonane 24.41
    undecane 21.73
    tert-butylcyclohexane 35.06
    cyclooctane 16.85
    cyclopentanol 260.84
    tetrahydropyran 396.33
    tert-amyl methyl ether 187.06
    2,5,8-trioxanonane 364.54
    1-hexene 91.55
    2-isopropoxyethanol 301.01
    2,2,2-trifluoroethanol 159.43
    methyl butyrate 210.49

    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