2-Methylbutyronitrile

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  • Identifiers

    CAS number
    18936-17-9

    Molecular formula
    C5H9N

    SMILES
    CCC(C)C#N

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 55.59%
    Fatty 30.35%
    Herbal 29.46%
    Pungent 29.18%
    Fruity 27.62%
    Spicy 26.72%
    Cheesy 26.08%
    Fresh 25.25%
    Musty 24.83%
    Vegetable 24.75%

     

    Flavor
    Bloody 19.14%
    Nitrile 19.08%
    Glue 18.75%
    Skunky 18.39%
    Cedarleaf 18.35%
    Yeasty 18.3%
    Bitter 18.28%
    Creosote 18.09%
    Leathery 18.02%
    Oriental 17.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.5 (neutral)

    Molecular weight
    83.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    124°C

    Flash point

    • 31.86 ˚C est.

  • Synonyms

    • 2-Methylbutyronitrile
    • 2-Methylbutanenitrile
    • 18936-17-9
    • 2-Cyanobutane
    • Butanenitrile, 2-methyl-
    • sec-Butyl Cyanide
    • alpha-Methylbutyronitrile
    • 2-Methylbutanone cyanohydrin
    • Butyronitrile, 2-methyl-
    • R5Y900M14U
    • NSC-165615
    • CHEBI:61669
    • DTXSID50871287
    • RefChem:88284
    • DTXCID30818958
    • 242-687-1
    • s-butyl cyanide
    • MFCD00001877
    • .alpha.-Methylbutyronitrile
    • EINECS 242-687-1
    • NSC 165615
    • 2-methylbutylnitrile
    • starbld0016720
    • EC 242-687-1
    • SCHEMBL26868
    • SCHEMBL126145
    • SCHEMBL133398
    • SCHEMBL164428
    • SCHEMBL269948
    • UNII-R5Y900M14U
    • SCHEMBL8031884
    • SCHEMBL8627210
    • SCHEMBL11470017
    • SCHEMBL27505449
    • SCHEMBL27530760
    • (+/-)-2-CYANOBUTANE
    • NSC165615
    • NSC827138
    • AKOS009157026
    • NSC-827138
    • CS-0217171
    • M0706
    • NS00005064
    • EN300-69936
    • C21525
    • 2-Methylbutyronitrile, Lonza quality, >=80.0% (GC)
    • Q27131266
    • (+)-(S)-2-methylbutane nitrile; Butanenitrile,2-methyl-,(2S); (S)-2-Methyl-butyronitril; (S)-(+)-2-Methylbutyronitrile
    • 18936-17-9

  • Applications

    2-Methylbutyronitrile (CAS 18936-17-9) is primarily used as an organic synthesis intermediate. It serves as a building block for converting to amines via reduction and for preparing more complex nitrile or amide derivatives used in the manufacture of active pharmaceutical ingredients and agrochemicals. It may serve as a precursor in fragrance chemistry, contributing to fragrance-related syntheses in specialized contexts, and as a starting material for certain specialty polymers, coatings, and plastic additives where a branched aliphatic nitrile is advantageous. Additionally, it can be employed as a solvent or reaction medium in specific processing steps, with usage governed by formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 386.44
    methanol 457.71
    isopropanol 305.4
    water 5.35
    ethyl acetate 429.6
    n-propanol 327.66
    acetone 694.54
    n-butanol 281.63
    acetonitrile 641.64
    DMF 603.33
    toluene 142.85
    isobutanol 240.15
    1,4-dioxane 604.85
    methyl acetate 476.8
    THF 720.32
    2-butanone 514.77
    n-pentanol 194.85
    sec-butanol 263.28
    n-hexane 79.35
    ethylene glycol 141.09
    NMP 788.89
    cyclohexane 119.54
    DMSO 669.36
    n-butyl acetate 552.89
    n-octanol 187.59
    chloroform 1480.69
    n-propyl acetate 331.81
    acetic acid 918.4
    dichloromethane 1097.91
    cyclohexanone 799.69
    propylene glycol 173.35
    isopropyl acetate 252.94
    DMAc 410.43
    2-ethoxyethanol 222.89
    isopentanol 219.51
    n-heptane 68.78
    ethyl formate 335.33
    1,2-dichloroethane 575.03
    n-hexanol 322.99
    2-methoxyethanol 353.81
    isobutyl acetate 201.29
    tetrachloromethane 379.63
    n-pentyl acetate 302.08
    transcutol 1046.28
    n-heptanol 183.56
    ethylbenzene 97.51
    MIBK 204.28
    2-propoxyethanol 356.56
    tert-butanol 337.78
    MTBE 256.39
    2-butoxyethanol 273.32
    propionic acid 596.24
    o-xylene 103.8
    formic acid 290.24
    diethyl ether 276.75
    m-xylene 93.12
    p-xylene 173.47
    chlorobenzene 474.47
    dimethyl carbonate 151.43
    n-octane 32.13
    formamide 375.0
    cyclopentanone 958.0
    2-pentanone 356.02
    anisole 228.88
    cyclopentyl methyl ether 310.06
    gamma-butyrolactone 1111.55
    1-methoxy-2-propanol 275.07
    pyridine 732.13
    3-pentanone 284.16
    furfural 895.58
    n-dodecane 23.76
    diethylene glycol 263.26
    diisopropyl ether 101.82
    tert-amyl alcohol 278.77
    acetylacetone 482.44
    n-hexadecane 26.74
    acetophenone 244.11
    methyl propionate 292.66
    isopentyl acetate 419.13
    trichloroethylene 1291.18
    n-nonanol 159.08
    cyclohexanol 287.73
    benzyl alcohol 183.88
    2-ethylhexanol 235.11
    isooctanol 154.28
    dipropyl ether 244.09
    1,2-dichlorobenzene 416.47
    ethyl lactate 142.57
    propylene carbonate 637.52
    n-methylformamide 445.17
    2-pentanol 195.91
    n-pentane 50.57
    1-propoxy-2-propanol 342.32
    1-methoxy-2-propyl acetate 319.35
    2-(2-methoxypropoxy) propanol 246.54
    mesitylene 69.41
    ε-caprolactone 611.53
    p-cymene 105.7
    epichlorohydrin 726.09
    1,1,1-trichloroethane 820.57
    2-aminoethanol 230.37
    morpholine-4-carbaldehyde 542.96
    sulfolane 1129.34
    2,2,4-trimethylpentane 32.84
    2-methyltetrahydrofuran 615.73
    n-hexyl acetate 396.62
    isooctane 26.05
    2-(2-butoxyethoxy)ethanol 359.15
    sec-butyl acetate 194.21
    tert-butyl acetate 268.76
    decalin 49.88
    glycerin 226.46
    diglyme 623.42
    acrylic acid 618.06
    isopropyl myristate 151.88
    n-butyric acid 596.58
    acetyl acetate 358.0
    di(2-ethylhexyl) phthalate 140.26
    ethyl propionate 244.98
    nitromethane 1160.85
    1,2-diethoxyethane 398.37
    benzonitrile 441.91
    trioctyl phosphate 115.86
    1-bromopropane 337.73
    gamma-valerolactone 849.61
    n-decanol 113.33
    triethyl phosphate 137.89
    4-methyl-2-pentanol 116.4
    propionitrile 451.08
    vinylene carbonate 608.42
    1,1,2-trichlorotrifluoroethane 633.37
    DMS 294.17
    cumene 80.92
    2-octanol 142.41
    2-hexanone 325.05
    octyl acetate 196.85
    limonene 162.25
    1,2-dimethoxyethane 382.28
    ethyl orthosilicate 132.03
    tributyl phosphate 149.2
    diacetone alcohol 277.72
    N,N-dimethylaniline 138.17
    acrylonitrile 604.51
    aniline 264.49
    1,3-propanediol 275.35
    bromobenzene 466.18
    dibromomethane 728.51
    1,1,2,2-tetrachloroethane 967.73
    2-methyl-cyclohexyl acetate 249.32
    tetrabutyl urea 162.32
    diisobutyl methanol 130.15
    2-phenylethanol 248.72
    styrene 149.21
    dioctyl adipate 224.52
    dimethyl sulfate 267.61
    ethyl butyrate 353.16
    methyl lactate 174.29
    butyl lactate 245.58
    diethyl carbonate 245.58
    propanediol butyl ether 281.45
    triethyl orthoformate 222.72
    p-tert-butyltoluene 99.79
    methyl 4-tert-butylbenzoate 248.46
    morpholine 593.75
    tert-butylamine 229.17
    n-dodecanol 86.98
    dimethoxymethane 216.34
    ethylene carbonate 450.84
    cyrene 212.59
    2-ethoxyethyl acetate 348.32
    2-ethylhexyl acetate 337.21
    1,2,4-trichlorobenzene 463.59
    4-methylpyridine 536.63
    dibutyl ether 240.1
    2,6-dimethyl-4-heptanol 130.15
    DEF 334.03
    dimethyl isosorbide 407.92
    tetrachloroethylene 742.12
    eugenol 257.99
    triacetin 373.49
    span 80 282.69
    1,4-butanediol 125.33
    1,1-dichloroethane 685.28
    2-methyl-1-pentanol 170.47
    methyl formate 350.95
    2-methyl-1-butanol 210.04
    n-decane 40.5
    butyronitrile 435.81
    3,7-dimethyl-1-octanol 183.61
    1-chlorooctane 143.12
    1-chlorotetradecane 59.45
    n-nonane 42.9
    undecane 29.71
    tert-butylcyclohexane 49.78
    cyclooctane 32.41
    cyclopentanol 394.85
    tetrahydropyran 598.35
    tert-amyl methyl ether 175.94
    2,5,8-trioxanonane 426.51
    1-hexene 201.51
    2-isopropoxyethanol 175.85
    2,2,2-trifluoroethanol 352.34
    methyl butyrate 360.12

    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