Methacrylonitrile

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  • Identifiers

    CAS number
    126-98-7

    Molecular formula
    C4H5N

    SMILES
    CC(=C)C#N

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

  • Odor profile

    Pungent 42.33%
    Spicy 34.77%
    Herbal 25.55%
    Burnt 24.93%
    Sharp 24.83%
    Musty 22.86%
    Green 22.83%
    Mint 22.5%
    Radish 22.06%
    Nutty 21.77%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 6.9 [mmHg]. Detection odor threshold from AIHA (mean = 6.9 ppm)
    • ... IT SHOULD BE NOTED THAT METHACRYLONITRILE CANNOT BE DETECTED BY ITS SMELL EVEN AT CONCENTRATIONS WHICH ARE ALREADY DANGEROUS FOR HUMANS.
    • An odor threshold of 2.1 ppm has been reported.

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.23 (neutral)

    Molecular weight
    67.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -32.4 °F (EPA, 1998)
    • -35.8 °C
    • -32.4 °F
    • -32 °F

    Boiling point

    • 194 °F at 760 mmHg (EPA, 1998)
    • 90.3 °C @ 760 mm Hg
    • 90.3 °C
    • 195 °F

    Flash point est.
    9.86 ˚C

    Flash point expt.

    • 55 °F (EPA, 1998)
    • 13 °C
    • 13 °C (55 °F) open cup
    • 1.1 °C c.c.
    • 55 °F
    • 34 °F

    Solubility expt.

    • 10 to 50 mg/mL at 72 °F (NTP, 1992)
    • Miscible with acetone, octane, toluene @ 20-25 °C
    • Sol in alcohol, ether
    • In water, 2.54X10+4 mg/l @ 25 °C
    • Solubility in water at 20 °C: moderate
    • 3%

  • Synonyms

    • Methacrylonitrile
    • 126-98-7
    • 2-methylprop-2-enenitrile
    • 2-Methylacrylonitrile
    • Isopropene cyanide
    • METHYLACRYLONITRILE
    • Isopropenylnitrile
    • 2-Propenenitrile, 2-methyl-
    • 2-Methyl-2-propenenitrile
    • 2-Cyanopropene-1
    • 2-Cyano-1-propene
    • 2-Cyanopropene
    • 2-Methylpropenenitrile
    • Methyl acrylonitrile
    • USAF ST-40
    • RCRA waste number U152
    • CCRIS 4841
    • isobutenenitrile
    • methacrylnitrile
    • HSDB 5613
    • .alpha.-Methylacrylonitrile
    • EINECS 204-817-5
    • NSC 24145
    • UN3079
    • DTXSID1024176
    • AI3-52399
    • UNII-04S4K38612
    • .alpha.-Methacrylonitrile
    • Propenenitrile, 2-methyl
    • 1-Methyl-1-cyanoethylene
    • NSC-24145
    • CH2C(CH3)CN
    • Methacrylonitrile, stabiliZed
    • METHACRYLONITRILE [MI]
    • DTXCID104176
    • METHACRYLONITRILE (15N)
    • METHYLACRYLONITRILE [HSDB]
    • EC 204-817-5
    • 04S4K38612
    • Methacrylonitrile (stabilized with hydroquinone monomethyl ether)
    • CAS-126-98-7
    • RCRA waste no. U152
    • 2Cyanopropene1
    • 2Methylacrylonitrile
    • a-methylacrylonitrile
    • 2Methylpropenenitrile
    • NSC 20659
    • 2Methyl2propenenitrile
    • 2-methyl-acrylonitrile
    • 1-methylethenyl cyanide
    • Methacrylonitrile, 99%
    • 2Propenenitrile, 2methyl
    • USAF ST40
    • Methacrylonitrile, inhibited
    • 2-propenenitrile, 2-methyl
    • Methylacrylonitrile (ACGIH)
    • WLN: NCY1 & U1
    • CHEMBL1529759
    • CHEBI:229308
    • AAA12698
    • NSC20659
    • NSC24145
    • Tox21_201354
    • Tox21_303172
    • BBL011404
    • MFCD00001872
    • NSC-20659
    • STL146508
    • 2-cyanopropene-1, 2-cyano-1-propene
    • AKOS000121392
    • 2-PROPENE-NITRILE, 2-METHYL-
    • NCGC00090742-01
    • NCGC00090742-02
    • NCGC00090742-03
    • NCGC00090742-04
    • NCGC00256956-01
    • NCGC00258906-01
    • M0089
    • NS00003782
    • EN300-21169
    • Q2088171
    • PROPENOIC ACID,2-METHYL,NITRILE METHACRYL NITRILE
    • Methacrylonitrile, inhibited [UN3079] [Flammable liquid]
    • PROPENOIC ACID,2-METHYL,NITRILE METHACRYL NITRILE
    • 204-817-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 89.33
    methanol 130.82
    isopropanol 62.55
    water 19.85
    ethyl acetate 73.73
    n-propanol 66.86
    acetone 114.46
    n-butanol 59.4
    acetonitrile 100.7
    DMF 176.74
    toluene 28.04
    isobutanol 55.33
    1,4-dioxane 89.9
    methyl acetate 105.38
    THF 106.83
    2-butanone 102.6
    n-pentanol 52.47
    sec-butanol 62.69
    n-hexane 14.02
    ethylene glycol 53.07
    NMP 206.9
    cyclohexane 10.01
    DMSO 100.55
    n-butyl acetate 88.1
    n-octanol 62.08
    chloroform 151.18
    n-propyl acetate 65.79
    acetic acid 182.31
    dichloromethane 111.8
    cyclohexanone 107.01
    propylene glycol 56.55
    isopropyl acetate 55.58
    DMAc 192.86
    2-ethoxyethanol 79.86
    isopentanol 55.27
    n-heptane 14.47
    ethyl formate 65.33
    1,2-dichloroethane 60.78
    n-hexanol 70.49
    2-methoxyethanol 105.11
    isobutyl acetate 53.49
    tetrachloromethane 40.83
    n-pentyl acetate 64.62
    transcutol 238.26
    n-heptanol 56.79
    ethylbenzene 27.0
    MIBK 57.9
    2-propoxyethanol 101.14
    tert-butanol 79.62
    MTBE 69.44
    2-butoxyethanol 91.57
    propionic acid 109.94
    o-xylene 32.04
    formic acid 109.07
    diethyl ether 51.42
    m-xylene 26.6
    p-xylene 42.61
    chlorobenzene 55.53
    dimethyl carbonate 44.47
    n-octane 8.08
    formamide 99.55
    cyclopentanone 136.98
    2-pentanone 71.66
    anisole 67.0
    cyclopentyl methyl ether 61.16
    gamma-butyrolactone 151.46
    1-methoxy-2-propanol 84.92
    pyridine 91.91
    3-pentanone 64.97
    furfural 162.47
    n-dodecane 7.72
    diethylene glycol 83.56
    diisopropyl ether 25.64
    tert-amyl alcohol 79.73
    acetylacetone 94.93
    n-hexadecane 8.11
    acetophenone 80.03
    methyl propionate 66.59
    isopentyl acetate 84.66
    trichloroethylene 143.5
    n-nonanol 54.51
    cyclohexanol 51.4
    benzyl alcohol 53.69
    2-ethylhexanol 57.27
    isooctanol 47.1
    dipropyl ether 50.39
    1,2-dichlorobenzene 61.65
    ethyl lactate 50.9
    propylene carbonate 107.93
    n-methylformamide 99.94
    2-pentanol 46.46
    n-pentane 10.87
    1-propoxy-2-propanol 86.99
    1-methoxy-2-propyl acetate 81.77
    2-(2-methoxypropoxy) propanol 98.36
    mesitylene 20.22
    ε-caprolactone 104.54
    p-cymene 30.57
    epichlorohydrin 107.38
    1,1,1-trichloroethane 89.82
    2-aminoethanol 71.63
    morpholine-4-carbaldehyde 159.31
    sulfolane 160.62
    2,2,4-trimethylpentane 11.55
    2-methyltetrahydrofuran 99.28
    n-hexyl acetate 95.12
    isooctane 7.75
    2-(2-butoxyethoxy)ethanol 115.9
    sec-butyl acetate 53.13
    tert-butyl acetate 71.96
    decalin 11.29
    glycerin 82.51
    diglyme 184.8
    acrylic acid 121.51
    isopropyl myristate 43.29
    n-butyric acid 97.51
    acetyl acetate 71.72
    di(2-ethylhexyl) phthalate 51.15
    ethyl propionate 53.27
    nitromethane 214.17
    1,2-diethoxyethane 83.19
    benzonitrile 73.5
    trioctyl phosphate 38.87
    1-bromopropane 43.22
    gamma-valerolactone 147.63
    n-decanol 41.5
    triethyl phosphate 42.91
    4-methyl-2-pentanol 36.0
    propionitrile 68.42
    vinylene carbonate 103.3
    1,1,2-trichlorotrifluoroethane 137.4
    DMS 77.94
    cumene 26.54
    2-octanol 42.34
    2-hexanone 73.81
    octyl acetate 58.5
    limonene 42.98
    1,2-dimethoxyethane 109.49
    ethyl orthosilicate 41.8
    tributyl phosphate 45.54
    diacetone alcohol 86.87
    N,N-dimethylaniline 59.02
    acrylonitrile 88.19
    aniline 51.99
    1,3-propanediol 67.65
    bromobenzene 45.49
    dibromomethane 73.57
    1,1,2,2-tetrachloroethane 118.45
    2-methyl-cyclohexyl acetate 70.56
    tetrabutyl urea 56.62
    diisobutyl methanol 33.28
    2-phenylethanol 64.11
    styrene 32.57
    dioctyl adipate 65.2
    dimethyl sulfate 70.93
    ethyl butyrate 70.1
    methyl lactate 57.85
    butyl lactate 64.07
    diethyl carbonate 53.65
    propanediol butyl ether 94.36
    triethyl orthoformate 54.68
    p-tert-butyltoluene 29.66
    methyl 4-tert-butylbenzoate 90.02
    morpholine 93.67
    tert-butylamine 54.58
    n-dodecanol 32.97
    dimethoxymethane 68.79
    ethylene carbonate 73.54
    cyrene 90.96
    2-ethoxyethyl acetate 85.5
    2-ethylhexyl acetate 70.01
    1,2,4-trichlorobenzene 79.97
    4-methylpyridine 93.61
    dibutyl ether 54.23
    2,6-dimethyl-4-heptanol 33.28
    DEF 91.02
    dimethyl isosorbide 129.46
    tetrachloroethylene 91.23
    eugenol 93.07
    triacetin 110.59
    span 80 91.3
    1,4-butanediol 42.84
    1,1-dichloroethane 79.46
    2-methyl-1-pentanol 55.92
    methyl formate 83.06
    2-methyl-1-butanol 56.3
    n-decane 11.49
    butyronitrile 61.39
    3,7-dimethyl-1-octanol 56.72
    1-chlorooctane 36.95
    1-chlorotetradecane 17.33
    n-nonane 11.07
    undecane 9.09
    tert-butylcyclohexane 14.09
    cyclooctane 5.12
    cyclopentanol 62.15
    tetrahydropyran 68.98
    tert-amyl methyl ether 62.18
    2,5,8-trioxanonane 139.4
    1-hexene 36.33
    2-isopropoxyethanol 68.31
    2,2,2-trifluoroethanol 101.26
    methyl butyrate 73.91

    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