2-Furonitrile

Overview IFRA Request a quote

  • Identifiers

    CAS number
    617-90-3

    Molecular formula
    C5H3NO

    SMILES
    C1=COC(=C1)C#N

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 41.18%
    Almond 38.78%
    Burnt 36.32%
    Spicy 33.82%
    Nutty 31.87%
    Sulfurous 30.9%
    Coffee 30.17%
    Roasted 28.62%
    Bitter 28.45%
    Pungent 26.99%

     

    Flavor
    Bitter 52.56%
    Nutty 36.05%
    Roasted 35.18%
    Coffee 27.32%
    Roast 27.17%
    Cooked 25.61%
    Sulfur 24.02%
    Popcorn 23.97%
    Sulfury 23.6%
    Chocolate 23.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.99 (weak acid)

    Molecular weight
    93.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point

    • 50.23 ˚C est.

  • Synonyms

    • 2-Furonitrile
    • furan-2-carbonitrile
    • 2-Furancarbonitrile
    • 2-Furyl cyanide
    • .alpha.-Furyl cyanide
    • UNII-2LRK86H722
    • 2LRK86H722
    • EINECS 210-537-4
    • NSC-35567
    • DTXSID40210707
    • NSC 35567
    • alpha-Furyl cyanide
    • RefChem:87229
    • DTXCID30133198
    • 210-537-4
    • InChI=1/C5H3NO/c6-4-5-2-1-3-7-5/h1-3
    • YXDXXGXWFJCXEB-UHFFFAOYSA-N
    • 617-90-3
    • 2-Cyanofuran
    • MFCD00003223
    • 2-Furonitrile (furan-2-carbonitrile)
    • 2-Furonitrile, 99%
    • SCHEMBL187001
    • SCHEMBL445529
    • SCHEMBL448200
    • SCHEMBL449090
    • NSC35567
    • SBB055776
    • STL301969
    • AKOS000304646
    • AB00309
    • AC-6164
    • CS-W016667
    • SY048410
    • DB-053990
    • C1648
    • NS00034794
    • EN300-26792
    • 617F903
    • AN-584/40232027
    • F068592
    • Q4596885
    • F1967-1443
    • 617-90-3

  • Applications

    2-Furonitrile, CAS 617-90-3, is primarily used as an organic synthesis intermediate, providing building blocks for furan-based heterocycles and nitrile derivatives. In the pharmaceutical industry, it is viewed as a synthetic precursor for the preparation of drug compounds or active pharmaceutical ingredient scaffolds; in the agrochemical sector, it is developed as a precursor for the synthesis of biologically active compounds used in pesticides or fungicides. In the field of polymers/plastics and coatings/inks, it can be processed to furnish functional monomers or intermediates for resins and coatings. Additionally, it is commonly employed in research and development as a general reagent for the synthesis of heterocycles and nitrile-containing compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.33
    methanol 144.83
    isopropanol 56.8
    water 11.92
    ethyl acetate 135.47
    n-propanol 60.49
    acetone 358.82
    n-butanol 44.98
    acetonitrile 291.24
    DMF 739.09
    toluene 25.01
    isobutanol 44.22
    1,4-dioxane 227.21
    methyl acetate 236.23
    THF 199.62
    2-butanone 196.07
    n-pentanol 44.33
    sec-butanol 48.62
    n-hexane 4.46
    ethylene glycol 125.13
    NMP 544.51
    cyclohexane 12.41
    DMSO 851.13
    n-butyl acetate 70.84
    n-octanol 44.66
    chloroform 169.83
    n-propyl acetate 93.32
    acetic acid 352.95
    dichloromethane 203.58
    cyclohexanone 195.03
    propylene glycol 81.14
    isopropyl acetate 67.82
    DMAc 495.39
    2-ethoxyethanol 133.58
    isopentanol 40.9
    n-heptane 7.04
    ethyl formate 110.95
    1,2-dichloroethane 150.56
    n-hexanol 38.67
    2-methoxyethanol 216.62
    isobutyl acetate 50.05
    tetrachloromethane 22.6
    n-pentyl acetate 53.49
    transcutol 552.31
    n-heptanol 27.63
    ethylbenzene 17.98
    MIBK 62.64
    2-propoxyethanol 104.06
    tert-butanol 69.19
    MTBE 59.01
    2-butoxyethanol 71.77
    propionic acid 154.96
    o-xylene 27.18
    formic acid 212.41
    diethyl ether 67.48
    m-xylene 21.14
    p-xylene 30.42
    chlorobenzene 79.84
    dimethyl carbonate 133.35
    n-octane 3.83
    formamide 349.43
    cyclopentanone 259.03
    2-pentanone 111.84
    anisole 84.57
    cyclopentyl methyl ether 76.84
    gamma-butyrolactone 326.48
    1-methoxy-2-propanol 140.2
    pyridine 189.13
    3-pentanone 115.65
    furfural 354.92
    n-dodecane 5.36
    diethylene glycol 162.84
    diisopropyl ether 22.78
    tert-amyl alcohol 54.91
    acetylacetone 207.43
    n-hexadecane 5.96
    acetophenone 101.26
    methyl propionate 147.21
    isopentyl acetate 58.33
    trichloroethylene 297.82
    n-nonanol 39.08
    cyclohexanol 55.38
    benzyl alcohol 67.17
    2-ethylhexanol 30.16
    isooctanol 24.3
    dipropyl ether 39.58
    1,2-dichlorobenzene 84.87
    ethyl lactate 71.87
    propylene carbonate 160.43
    n-methylformamide 314.38
    2-pentanol 34.38
    n-pentane 4.85
    1-propoxy-2-propanol 76.99
    1-methoxy-2-propyl acetate 90.1
    2-(2-methoxypropoxy) propanol 122.69
    mesitylene 17.06
    ε-caprolactone 152.34
    p-cymene 19.48
    epichlorohydrin 234.31
    1,1,1-trichloroethane 107.71
    2-aminoethanol 99.49
    morpholine-4-carbaldehyde 426.22
    sulfolane 437.22
    2,2,4-trimethylpentane 4.58
    2-methyltetrahydrofuran 119.89
    n-hexyl acetate 91.34
    isooctane 3.47
    2-(2-butoxyethoxy)ethanol 151.61
    sec-butyl acetate 52.35
    tert-butyl acetate 74.55
    decalin 6.97
    glycerin 173.2
    diglyme 315.94
    acrylic acid 221.76
    isopropyl myristate 40.08
    n-butyric acid 107.53
    acetyl acetate 126.98
    di(2-ethylhexyl) phthalate 42.17
    ethyl propionate 83.62
    nitromethane 816.41
    1,2-diethoxyethane 108.54
    benzonitrile 116.1
    trioctyl phosphate 32.16
    1-bromopropane 47.2
    gamma-valerolactone 337.82
    n-decanol 30.99
    triethyl phosphate 43.14
    4-methyl-2-pentanol 25.07
    propionitrile 125.72
    vinylene carbonate 177.51
    1,1,2-trichlorotrifluoroethane 275.65
    DMS 138.82
    cumene 16.29
    2-octanol 22.8
    2-hexanone 89.44
    octyl acetate 52.15
    limonene 28.96
    1,2-dimethoxyethane 223.71
    ethyl orthosilicate 35.4
    tributyl phosphate 41.62
    diacetone alcohol 105.13
    N,N-dimethylaniline 61.66
    acrylonitrile 223.65
    aniline 61.16
    1,3-propanediol 93.79
    bromobenzene 70.26
    dibromomethane 97.23
    1,1,2,2-tetrachloroethane 202.87
    2-methyl-cyclohexyl acetate 52.95
    tetrabutyl urea 61.96
    diisobutyl methanol 23.21
    2-phenylethanol 54.38
    styrene 29.1
    dioctyl adipate 69.59
    dimethyl sulfate 261.78
    ethyl butyrate 62.02
    methyl lactate 129.32
    butyl lactate 56.68
    diethyl carbonate 55.43
    propanediol butyl ether 106.42
    triethyl orthoformate 47.98
    p-tert-butyltoluene 18.29
    methyl 4-tert-butylbenzoate 90.75
    morpholine 201.76
    tert-butylamine 40.33
    n-dodecanol 25.49
    dimethoxymethane 210.31
    ethylene carbonate 123.45
    cyrene 117.22
    2-ethoxyethyl acetate 99.43
    2-ethylhexyl acetate 46.22
    1,2,4-trichlorobenzene 113.87
    4-methylpyridine 123.63
    dibutyl ether 50.52
    2,6-dimethyl-4-heptanol 23.21
    DEF 174.52
    dimethyl isosorbide 155.74
    tetrachloroethylene 133.56
    eugenol 94.22
    triacetin 152.48
    span 80 90.46
    1,4-butanediol 63.67
    1,1-dichloroethane 115.55
    2-methyl-1-pentanol 38.57
    methyl formate 275.75
    2-methyl-1-butanol 37.72
    n-decane 7.36
    butyronitrile 78.27
    3,7-dimethyl-1-octanol 42.33
    1-chlorooctane 28.14
    1-chlorotetradecane 14.39
    n-nonane 6.8
    undecane 6.15
    tert-butylcyclohexane 5.91
    cyclooctane 3.96
    cyclopentanol 76.59
    tetrahydropyran 118.77
    tert-amyl methyl ether 48.25
    2,5,8-trioxanonane 235.11
    1-hexene 16.48
    2-isopropoxyethanol 86.56
    2,2,2-trifluoroethanol 167.86
    methyl butyrate 111.17

    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