Butyronitrile

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  • Identifiers

    CAS number
    109-74-0

    Molecular formula
    C4H7N

    SMILES
    CCCC#N

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

  • Odor profile

    Green 52.51%
    Fatty 45.38%
    Floral 38.68%
    Pungent 36.31%
    Cheesy 35.37%
    Fishy 32.24%
    Fruity 30.61%
    Oily 30.5%
    Sweet 27.85%
    Vegetable 27.39%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    69.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -171 °F (USCG, 1999)
    • -112 °C
    • -170 °F

    Boiling point

    • 244 °F at 760 mmHg (USCG, 1999)
    • 117.5 °C @ 760 mm Hg
    • 116-118 °C
    • 244 °F

    Flash point est.
    17.07 ˚C

    Flash point expt.

    • 62 °F (USCG, 1999)
    • 17 °C
    • 76 (24 °C) °F (OPEN CUP)
    • 62 °F

    Solubility expt.

    • 3 % at 77 °F (NIOSH, 2024)
    • Miscible with alc, ether, dimethylformamide
    • Sol in benzene
    • In water, 33,000 mg/l at 25 °C.
    • Solubility in water, g/100ml at 25 °C: 3
    • (77 °F): 3%

  • Synonyms

    • Butyronitrile
    • BUTANENITRILE
    • N-Butyronitrile
    • 109-74-0
    • Propyl cyanide
    • 1-Cyanopropane
    • n-Propyl cyanide
    • Butyric acid nitrile
    • Butyrylonitrile
    • n-Butanenitrile
    • Propylkyanid
    • n-Butanitrile
    • HSDB 5013
    • NSC 8412
    • EINECS 203-700-6
    • UNII-O3V36V0W0M
    • UN2411
    • BRN 1361452
    • AI3-08778
    • NSC-8412
    • n-C3H7CN
    • BUTYRONITRILE [MI]
    • BUTANENITRILE [HSDB]
    • O3V36V0W0M
    • DTXSID1026823
    • CHEBI:51937
    • EC 203-700-6
    • 4-02-00-00806 (Beilstein Handbook Reference)
    • UN 2411
    • Butane nitrile
    • Butyronitrile, >=99%
    • Propylkyanid [Czech]
    • butyronitile
    • butyronitril
    • cyanopropane
    • nButanenitrile
    • nButyronitrile
    • nPropyl cyanide
    • 1Cyanopropane
    • n-Butyl nitrile
    • n-PrCN
    • MFCD00001968
    • Butyronitrile, 98%
    • GAMMA-BUTYRONITRILE
    • WLN: NC3
    • 1-Cyanopropane, butyronitrile
    • DTXCID006823
    • NSC8412
    • Butyronitrile, analytical standard
    • STL168041
    • AKOS000200378
    • Butyronitrile, purum, >=99.0% (GC)
    • B0768
    • NS00001927
    • Butyronitrile [UN2411] [Flammable liquid]
    • EN300-27284
    • A802081
    • Q420835
    • F0001-0203
    • Z238878246

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 360.27
    methanol 505.12
    isopropanol 264.51
    water 8.17
    ethyl acetate 386.97
    n-propanol 282.95
    acetone 961.45
    n-butanol 226.28
    acetonitrile 580.72
    DMF 987.89
    toluene 118.17
    isobutanol 199.71
    1,4-dioxane 602.66
    methyl acetate 430.14
    THF 969.57
    2-butanone 459.38
    n-pentanol 150.16
    sec-butanol 206.46
    n-hexane 94.35
    ethylene glycol 222.51
    NMP 1300.77
    cyclohexane 216.88
    DMSO 1121.79
    n-butyl acetate 514.07
    n-octanol 216.39
    chloroform 1155.45
    n-propyl acetate 284.34
    acetic acid 1681.3
    dichloromethane 878.64
    cyclohexanone 993.88
    propylene glycol 212.9
    isopropyl acetate 220.48
    DMAc 492.12
    2-ethoxyethanol 183.0
    isopentanol 161.54
    n-heptane 113.54
    ethyl formate 302.33
    1,2-dichloroethane 536.99
    n-hexanol 307.1
    2-methoxyethanol 382.6
    isobutyl acetate 171.07
    tetrachloromethane 217.65
    n-pentyl acetate 266.95
    transcutol 1015.93
    n-heptanol 157.86
    ethylbenzene 81.3
    MIBK 178.96
    2-propoxyethanol 368.61
    tert-butanol 290.16
    MTBE 182.01
    2-butoxyethanol 229.14
    propionic acid 690.18
    o-xylene 83.85
    formic acid 478.98
    diethyl ether 232.23
    m-xylene 83.72
    p-xylene 129.29
    chlorobenzene 442.36
    dimethyl carbonate 190.47
    n-octane 44.3
    formamide 448.6
    cyclopentanone 1311.07
    2-pentanone 374.19
    anisole 202.75
    cyclopentyl methyl ether 427.75
    gamma-butyrolactone 1437.47
    1-methoxy-2-propanol 302.53
    pyridine 650.38
    3-pentanone 296.94
    furfural 1142.74
    n-dodecane 39.33
    diethylene glycol 306.31
    diisopropyl ether 83.56
    tert-amyl alcohol 208.98
    acetylacetone 550.23
    n-hexadecane 44.41
    acetophenone 243.87
    methyl propionate 342.21
    isopentyl acetate 376.17
    trichloroethylene 1243.83
    n-nonanol 182.35
    cyclohexanol 340.72
    benzyl alcohol 163.78
    2-ethylhexanol 214.72
    isooctanol 124.29
    dipropyl ether 255.84
    1,2-dichlorobenzene 457.97
    ethyl lactate 159.66
    propylene carbonate 800.29
    n-methylformamide 522.51
    2-pentanol 164.93
    n-pentane 65.22
    1-propoxy-2-propanol 351.92
    1-methoxy-2-propyl acetate 343.55
    2-(2-methoxypropoxy) propanol 289.34
    mesitylene 63.43
    ε-caprolactone 700.85
    p-cymene 102.17
    epichlorohydrin 774.79
    1,1,1-trichloroethane 674.05
    2-aminoethanol 251.84
    morpholine-4-carbaldehyde 764.58
    sulfolane 1862.04
    2,2,4-trimethylpentane 30.66
    2-methyltetrahydrofuran 633.57
    n-hexyl acetate 430.71
    isooctane 26.52
    2-(2-butoxyethoxy)ethanol 379.81
    sec-butyl acetate 155.75
    tert-butyl acetate 255.62
    decalin 69.38
    glycerin 306.05
    diglyme 603.1
    acrylic acid 870.24
    isopropyl myristate 189.67
    n-butyric acid 669.61
    acetyl acetate 400.42
    di(2-ethylhexyl) phthalate 173.75
    ethyl propionate 234.6
    nitromethane 1769.23
    1,2-diethoxyethane 310.07
    benzonitrile 394.36
    trioctyl phosphate 149.42
    1-bromopropane 270.62
    gamma-valerolactone 1070.44
    n-decanol 138.51
    triethyl phosphate 144.21
    4-methyl-2-pentanol 91.83
    propionitrile 360.5
    vinylene carbonate 752.7
    1,1,2-trichlorotrifluoroethane 791.6
    DMS 371.37
    cumene 67.41
    2-octanol 126.74
    2-hexanone 286.94
    octyl acetate 248.09
    limonene 186.93
    1,2-dimethoxyethane 347.63
    ethyl orthosilicate 130.01
    tributyl phosphate 196.35
    diacetone alcohol 291.52
    N,N-dimethylaniline 137.91
    acrylonitrile 546.05
    aniline 229.64
    1,3-propanediol 275.19
    bromobenzene 418.46
    dibromomethane 585.34
    1,1,2,2-tetrachloroethane 944.31
    2-methyl-cyclohexyl acetate 262.09
    tetrabutyl urea 241.27
    diisobutyl methanol 127.91
    2-phenylethanol 241.42
    styrene 130.04
    dioctyl adipate 288.43
    dimethyl sulfate 372.23
    ethyl butyrate 308.93
    methyl lactate 240.15
    butyl lactate 256.52
    diethyl carbonate 220.43
    propanediol butyl ether 319.35
    triethyl orthoformate 204.32
    p-tert-butyltoluene 98.81
    methyl 4-tert-butylbenzoate 278.35
    morpholine 614.22
    tert-butylamine 196.9
    n-dodecanol 114.67
    dimethoxymethane 313.76
    ethylene carbonate 526.51
    cyrene 240.29
    2-ethoxyethyl acetate 297.23
    2-ethylhexyl acetate 296.83
    1,2,4-trichlorobenzene 508.69
    4-methylpyridine 460.83
    dibutyl ether 254.2
    2,6-dimethyl-4-heptanol 127.91
    DEF 398.37
    dimethyl isosorbide 477.2
    tetrachloroethylene 724.59
    eugenol 297.45
    triacetin 449.81
    span 80 345.13
    1,4-butanediol 111.75
    1,1-dichloroethane 563.59
    2-methyl-1-pentanol 120.57
    methyl formate 437.39
    2-methyl-1-butanol 155.6
    n-decane 57.82
    butyronitrile 336.06
    3,7-dimethyl-1-octanol 199.27
    1-chlorooctane 177.62
    1-chlorotetradecane 85.4
    n-nonane 62.0
    undecane 46.14
    tert-butylcyclohexane 56.77
    cyclooctane 56.16
    cyclopentanol 497.38
    tetrahydropyran 643.16
    tert-amyl methyl ether 136.35
    2,5,8-trioxanonane 471.2
    1-hexene 181.3
    2-isopropoxyethanol 136.86
    2,2,2-trifluoroethanol 483.36
    methyl butyrate 330.45

    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