Propionitrile

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  • Identifiers

    CAS number
    107-12-0

    Molecular formula
    C3H5N

    SMILES
    CCC#N

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 34.24%
    Floral 31.01%
    Fishy 30.44%
    Ethereal 29.82%
    Cheesy 28.83%
    Green 27.3%
    Nutty 26.65%
    Musty 25.85%
    Sharp 24.17%
    Fermented 23.84%

     

    Flavor
    Bitter 23.21%
    Fishy 22.27%
    Ammoniacal 19.3%
    Nitrile 19.08%
    Mousy 18.43%
    Glue 18.34%
    Bloody 18.28%
    Rotten 18.2%
    Formyl 17.82%
    Decomposing cabbage 17.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.7 (neutral)

    Molecular weight
    55.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -133 °F (EPA, 1998)
    • -91.8 °C
    • -92 °C
    • -133 °F

    Boiling point

    • 207 °F at 760 mmHg (EPA, 1998)
    • 97.2 °C @ 760 mm Hg
    • 97 °C
    • 207 °F

    Flash point

    • -2.57 ˚C est.
    • 35.6 °F (EPA, 1998)
    • 2 °C
    • 36 °F (2 °C) (Closed Cup)
    • 16 °C (Open Cup)
    • 2 °C c.c.
    • 36 °F

    Solubility expt.

    • 50 to 100 mg/mL at 73 °F (NTP, 1992)
    • Miscible with ether, alcohol
    • In water, 1.03X10+5 mg/l @ 25 °C.
    • Solubility in water, g/100ml at 20 °C: 10 (good)
    • 11.9%

  • Synonyms

    • PROPIONITRILE
    • Propanenitrile
    • Ethyl cyanide
    • 107-12-0
    • Propiononitrile
    • Cyanoethane
    • Propylnitrile
    • Propionic nitrile
    • Ether cyanatus
    • Hydrocyanic ether
    • Propannitril
    • Ethylkyanid
    • RCRA waste number P101
    • n-Propanenitrile
    • EtCN
    • NSC 7966
    • CCRIS 4706
    • HSDB 117
    • EINECS 203-464-4
    • UNII-E16N05FX3S
    • BRN 0773680
    • 1-Cyanoethyl radical
    • E16N05FX3S
    • DTXSID1021879
    • CHEBI:26307
    • AI3-08777
    • CH3CHCN
    • NSC-7966
    • CH3CH2CN
    • MFCD00001948
    • C2H5CN
    • DTXCID401879
    • 4-02-00-00728 (Beilstein Handbook Reference)
    • Ethylkyanid [Czech]
    • Propannitril [Czech]
    • Propionitril
    • UN2404
    • RCRA waste no. P101
    • ethylcyanide
    • proprionitrile
    • EINECS 268-599-3
    • Propionitrile, 99%
    • PROPIONITRILE [MI]
    • WLN: NC2
    • PROPIONITRILE [HSDB]
    • CHEMBL15871
    • DTXSID70186325
    • DTXSID80180495
    • NSC7966
    • Propionitrile, analytical standard
    • Tox21_201135
    • STL168048
    • AKOS000200375
    • UN 2404
    • NCGC00091259-01
    • NCGC00091259-02
    • NCGC00258687-01
    • Propionitrile, purum, >=99.0% (GC)
    • CAS-107-12-0
    • Propionitrile 1000 microg/mL in Methanol
    • NS00020464
    • P0514
    • EN300-21609
    • InChI=1/C3H5N/c1-2-3-4/h2H2,1H
    • Propionitrile [UN2404] [Flammable liquid]
    • A801585
    • Q414458
    • F0001-0138
    • 203-464-4

  • Applications

    Propionitrile (CAS 107-12-0) is primarily used as an organic synthesis intermediate and as a polar aprotic solvent in industrial and laboratory processes. It serves as a building block for the production of primary amines (for example, via hydrogenation to propylamine) and other nitrile-derived intermediates used in pharmaceuticals, agrochemicals, and specialty chemicals. It is also employed as a solvent in coatings, inks, and adhesive formulations, as well as in industrial cleaning and degreasing. In addition, it can function as a precursor for nitrile-containing polymers and related materials, and may be used in certain electrolyte formulations for electrochemical applications, depending on formulation requirements and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 371.96
    methanol 708.31
    isopropanol 244.57
    water 24.74
    ethyl acetate 327.85
    n-propanol 259.66
    acetone 816.84
    n-butanol 217.43
    acetonitrile 755.56
    DMF 1079.83
    toluene 136.07
    isobutanol 194.85
    1,4-dioxane 444.07
    methyl acetate 470.38
    THF 486.09
    2-butanone 494.78
    n-pentanol 182.5
    sec-butanol 212.19
    n-hexane 62.76
    ethylene glycol 177.72
    NMP 1162.74
    cyclohexane 74.53
    DMSO 947.66
    n-butyl acetate 394.32
    n-octanol 166.42
    chloroform 1169.55
    n-propyl acetate 303.87
    acetic acid 1079.09
    dichloromethane 986.25
    cyclohexanone 642.43
    propylene glycol 148.69
    isopropyl acetate 192.11
    DMAc 797.13
    2-ethoxyethanol 252.75
    isopentanol 177.02
    n-heptane 47.83
    ethyl formate 353.86
    1,2-dichloroethane 526.89
    n-hexanol 181.27
    2-methoxyethanol 394.67
    isobutyl acetate 174.39
    tetrachloromethane 278.46
    n-pentyl acetate 269.16
    transcutol 880.66
    n-heptanol 127.2
    ethylbenzene 108.14
    MIBK 173.84
    2-propoxyethanol 261.42
    tert-butanol 241.72
    MTBE 209.38
    2-butoxyethanol 214.91
    propionic acid 556.97
    o-xylene 111.87
    formic acid 500.47
    diethyl ether 188.3
    m-xylene 87.33
    p-xylene 195.79
    chlorobenzene 457.71
    dimethyl carbonate 188.72
    n-octane 27.22
    formamide 615.68
    cyclopentanone 864.54
    2-pentanone 317.01
    anisole 244.61
    cyclopentyl methyl ether 226.85
    gamma-butyrolactone 1027.56
    1-methoxy-2-propanol 252.7
    pyridine 636.51
    3-pentanone 278.06
    furfural 1062.82
    n-dodecane 23.67
    diethylene glycol 222.67
    diisopropyl ether 69.78
    tert-amyl alcohol 212.32
    acetylacetone 431.7
    n-hexadecane 26.34
    acetophenone 326.79
    methyl propionate 289.22
    isopentyl acetate 292.65
    trichloroethylene 1229.06
    n-nonanol 132.79
    cyclohexanol 199.27
    benzyl alcohol 214.73
    2-ethylhexanol 140.27
    isooctanol 101.8
    dipropyl ether 160.4
    1,2-dichlorobenzene 437.3
    ethyl lactate 148.23
    propylene carbonate 564.93
    n-methylformamide 623.48
    2-pentanol 145.36
    n-pentane 45.02
    1-propoxy-2-propanol 222.36
    1-methoxy-2-propyl acetate 236.18
    2-(2-methoxypropoxy) propanol 220.76
    mesitylene 65.66
    ε-caprolactone 510.69
    p-cymene 95.07
    epichlorohydrin 621.56
    1,1,1-trichloroethane 603.76
    2-aminoethanol 224.76
    morpholine-4-carbaldehyde 721.29
    sulfolane 1167.56
    2,2,4-trimethylpentane 28.93
    2-methyltetrahydrofuran 400.48
    n-hexyl acetate 353.97
    isooctane 19.07
    2-(2-butoxyethoxy)ethanol 291.78
    sec-butyl acetate 168.18
    tert-butyl acetate 195.11
    decalin 42.62
    glycerin 214.23
    diglyme 627.44
    acrylic acid 684.32
    isopropyl myristate 127.94
    n-butyric acid 493.7
    acetyl acetate 345.29
    di(2-ethylhexyl) phthalate 140.66
    ethyl propionate 220.6
    nitromethane 1515.99
    1,2-diethoxyethane 326.86
    benzonitrile 523.96
    trioctyl phosphate 105.22
    1-bromopropane 278.63
    gamma-valerolactone 820.74
    n-decanol 95.04
    triethyl phosphate 132.87
    4-methyl-2-pentanol 81.54
    propionitrile 421.92
    vinylene carbonate 593.62
    1,1,2-trichlorotrifluoroethane 618.42
    DMS 320.35
    cumene 83.54
    2-octanol 110.71
    2-hexanone 316.91
    octyl acetate 173.1
    limonene 134.81
    1,2-dimethoxyethane 442.33
    ethyl orthosilicate 118.99
    tributyl phosphate 153.1
    diacetone alcohol 219.09
    N,N-dimethylaniline 180.04
    acrylonitrile 666.29
    aniline 246.03
    1,3-propanediol 249.84
    bromobenzene 452.3
    dibromomethane 629.12
    1,1,2,2-tetrachloroethane 869.2
    2-methyl-cyclohexyl acetate 197.14
    tetrabutyl urea 192.17
    diisobutyl methanol 80.77
    2-phenylethanol 200.13
    styrene 176.14
    dioctyl adipate 207.67
    dimethyl sulfate 347.44
    ethyl butyrate 261.19
    methyl lactate 182.05
    butyl lactate 215.86
    diethyl carbonate 211.42
    propanediol butyl ether 241.8
    triethyl orthoformate 172.35
    p-tert-butyltoluene 81.33
    methyl 4-tert-butylbenzoate 240.17
    morpholine 417.81
    tert-butylamine 169.15
    n-dodecanol 73.61
    dimethoxymethane 278.76
    ethylene carbonate 410.59
    cyrene 222.04
    2-ethoxyethyl acetate 313.09
    2-ethylhexyl acetate 248.32
    1,2,4-trichlorobenzene 487.3
    4-methylpyridine 591.85
    dibutyl ether 215.39
    2,6-dimethyl-4-heptanol 80.77
    DEF 420.27
    dimethyl isosorbide 362.84
    tetrachloroethylene 689.72
    eugenol 264.29
    triacetin 393.69
    span 80 229.29
    1,4-butanediol 138.25
    1,1-dichloroethane 552.46
    2-methyl-1-pentanol 155.74
    methyl formate 501.46
    2-methyl-1-butanol 174.82
    n-decane 37.19
    butyronitrile 384.2
    3,7-dimethyl-1-octanol 138.44
    1-chlorooctane 129.96
    1-chlorotetradecane 53.84
    n-nonane 39.67
    undecane 28.5
    tert-butylcyclohexane 40.07
    cyclooctane 23.66
    cyclopentanol 281.14
    tetrahydropyran 335.68
    tert-amyl methyl ether 150.68
    2,5,8-trioxanonane 414.12
    1-hexene 163.09
    2-isopropoxyethanol 178.73
    2,2,2-trifluoroethanol 411.3
    methyl butyrate 346.06

    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