Acrylonitrile

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  • Identifiers

    CAS number
    107-13-1

    Molecular formula
    C3H3N

    SMILES
    C=CC#N

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Pungent 56.68%
    Radish 34.52%
    Garlic 34.29%
    Alliaceous 32.49%
    Sulfurous 30.91%
    Spicy 29.52%
    Onion 29.01%
    Sharp 25.52%
    Almond 23.91%
    Burnt 22.77%

     

    Flavor
    Bitter 49.78%
    Odorless 25.74%
    Mustard 23.99%
    Nitrile 22.63%
    Sulfur 21.17%
    Formyl 20.07%
    Rotten 19.55%
    Mousy 18.76%
    Bread crust 18.13%
    Taco 18.12%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor Threshold Low: 21.6 [mmHg]. The odor threshold was based on results from a panel of human subjects. [ACGIH] VP from HSDB
    • Detection of acrylonitrile in water is 1.86x10+1 ppm; chemically pure
    • Low= 8.1000 mg/cu m; High= 78.7500 mg/cu m

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.06 (neutral)

    Molecular weight
    53.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -116 °F (EPA, 1998)
    • -83.51 °C
    • -84 °C
    • -116 °F

    Boiling point

    • 171 °F at 760 mmHg (EPA, 1998)
    • 77.2 °C
    • 77 °C
    • 171 °F

    Flash point

    • -6.56 ˚C est.
    • 32 °F (EPA, 1998)
    • -5 °C (23 °F) - closed cup
    • 32 °F(0 °C)(open cup)
    • -1 °C c.c.
    • 30 °F

    Solubility expt.

    • 10 to 50 mg/mL at 70.9 °F (NTP, 1992)
    • Solubility of water in acrylonitrile: 3.1 parts water/100 parts acrylonitrile
    • In water, 7.45X10+4 mg/L at 25 °C
    • Very soluble in ethanol, acetone, benzene, ether
    • Acrylonitrile is ... miscible with ethanol, carbon tetrachloride, ethyl acetate, ethylene cyanohydrin, liquid carbon dioxide, ... toluene, petroleum ether, and xylene.
    • Solubility in water, g/100ml at 20 °C: 7
    • 7%

  • Synonyms

    • ACRYLONITRILE
    • 2-Propenenitrile
    • 107-13-1
    • Vinyl cyanide
    • Propenenitrile
    • Prop-2-enenitrile
    • Cyanoethylene
    • Fumigrain
    • Ventox
    • Carbacryl
    • Acritet
    • Acrylon
    • Nitrile acrylique
    • Cyanure de vinyle
    • Acrylnitril
    • Miller's fumigrain
    • Acrylonitrile monomer
    • Akrylonitryl
    • Nitrile acrilico
    • Cianuro di vinile
    • Akrylonitril
    • Vinylkyanid
    • ENT 54
    • Propenitrile
    • Propenonitrile
    • TL 314
    • RCRA waste number U009
    • Caswell No. 010
    • Acrylsaeurenitril
    • NSC 6362
    • CCRIS 8
    • HSDB 176
    • UN 1093
    • UNII-MP1U0D42PE
    • EINECS 203-466-5
    • VCN
    • MP1U0D42PE
    • EPA Pesticide Chemical Code 000601
    • BRN 0605310
    • DTXSID5020029
    • CHEBI:28217
    • AI3-00054
    • NSC-6362
    • MFCD00001927
    • DTXCID0029
    • NSC6362
    • EC 203-466-5
    • 4-02-00-01473 (Beilstein Handbook Reference)
    • vinylcyanide
    • Acrylonitrile-13C3
    • ACRYLONITRILE (IARC)
    • ACRYLONITRILE [IARC]
    • Vinylkyanid [Czech]
    • Akrylonitril [Czech]
    • Akrylonitryl [Polish]
    • acrylnitrile
    • Acrilonitrile
    • Cyanoethene
    • Bulana
    • Cyanide, Vinyl
    • Acrylonitrile(stabilized with 35-45 ppm 4-hydroxy anisole (H750015))
    • Dralon T
    • Nitrile acrilico [Italian]
    • Nitrile acrylique [French]
    • Cyanure de vinyle [French]
    • Acrylnitril [German, Dutch]
    • Cianuro di vinile [Italian]
    • 63908-52-1
    • AN
    • CAS-107-13-1
    • Barex 210 Resin
    • NCI-C50215
    • UN1093
    • (stabilized with 35-45 ppM 4-hydroxy anisole)
    • Acrylonitrile Vinyl cyanide
    • RCRA waste no. U009
    • acrylonitril
    • Acrylofume
    • acrylo-nitrile
    • Acrylonitrile, >=99%, contains 35-45 ppm monomethyl ether hydroquinone as inhibitor
    • CH2CHCN
    • starbld0049880
    • Acrylonitrile, inhibited
    • ACRYLONITRILE [MI]
    • ACRYLONITRILE (D3)
    • ACRYLONITRILE [HSDB]
    • WLN: NC1U1
    • Acrylnitril(GERMAN, DUTCH)
    • CHEMBL445612
    • ACRYLONITRILE (1-13C)
    • NSC7763
    • Acrylonitrile, analytical standard
    • Acrylonitrile resin (medium M.Wt)
    • AAA10713
    • Acrylonitrile, for synthesis, 99%
    • NSC-7763
    • Tox21_202076
    • Tox21_302951
    • c0148
    • MFCD00084395
    • STK802374
    • AKOS000120034
    • Polyacrylonitrile average Mw 150,000
    • MSK000063-1000M
    • NCGC00091477-01
    • NCGC00091477-02
    • NCGC00256349-01
    • NCGC00259625-01
    • Acrylonitrile, stab. with 4-methoxyphenol
    • BP-21192
    • FP106378
    • Acrylonitrile 1000 microg/mL in Methanol
    • Acrylonitrile, SAJ first grade, >=98.0%
    • A0146
    • InChI=1/C3H3N/c1-2-3-4/h2H,1H
    • NS00009239
    • Acrylonitrile, SAJ special grade, >=99.0%
    • EN300-20099
    • Acrylonitrile Solution in Methanol, 1000ug/mL
    • C01998
    • A801590
    • Q342968
    • Acrylonitrile contains 35-45 ppm MEHQ as inhibitor
    • Polyacrylonitrile - average Mw 150,000 (typical)
    • Acrylonitrile, inhibited [UN1093] [Flammable liquid]
    • Acrylonitrile (1-13C, 99%) (+0.1% 4-Methoxyphenol)
    • Acrylonitrile Solution, 1000 microg/mL in Methanol, Second Source
    • 203-466-5

  • Applications

    Acrylonitrile (CAS 107-13-1) is a key monomer and chemical feedstock used to produce a range of polymers and elastomers. It is the primary monomer for polyacrylonitrile (PAN) fibers and carbon-fiber precursors, and for copolymers such as acrylonitrile-styrene (SAN) and acrylonitrile-butadiene-styrene (ABS) resins used in coatings, packaging, and automotive parts. It is also the monomer for nitrile rubber (NBR), widely used in seals, hoses, gaskets, and other elastomeric products. In coatings, inks, and adhesive resins, acrylonitrile-derived polymers provide performance advantages. Additionally, acrylonitrile serves as a feedstock for acrylamide production and other nitrile-derived intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.17
    methanol 169.85
    isopropanol 64.71
    water 10.73
    ethyl acetate 153.3
    n-propanol 72.63
    acetone 321.63
    n-butanol 60.73
    acetonitrile 268.59
    DMF 501.76
    toluene 55.31
    isobutanol 55.03
    1,4-dioxane 187.83
    methyl acetate 237.07
    THF 197.06
    2-butanone 209.92
    n-pentanol 62.83
    sec-butanol 61.02
    n-hexane 20.78
    ethylene glycol 55.98
    NMP 570.55
    cyclohexane 21.82
    DMSO 441.73
    n-butyl acetate 184.27
    n-octanol 63.49
    chloroform 300.83
    n-propyl acetate 154.69
    acetic acid 348.4
    dichloromethane 329.35
    cyclohexanone 253.77
    propylene glycol 43.89
    isopropyl acetate 87.77
    DMAc 453.18
    2-ethoxyethanol 109.43
    isopentanol 55.0
    n-heptane 18.11
    ethyl formate 149.26
    1,2-dichloroethane 198.87
    n-hexanol 63.06
    2-methoxyethanol 145.38
    isobutyl acetate 90.46
    tetrachloromethane 68.36
    n-pentyl acetate 112.25
    transcutol 484.96
    n-heptanol 42.27
    ethylbenzene 49.07
    MIBK 78.8
    2-propoxyethanol 107.8
    tert-butanol 75.38
    MTBE 86.84
    2-butoxyethanol 83.91
    propionic acid 182.22
    o-xylene 54.4
    formic acid 156.78
    diethyl ether 78.52
    m-xylene 40.59
    p-xylene 86.83
    chlorobenzene 162.16
    dimethyl carbonate 105.69
    n-octane 10.64
    formamide 229.68
    cyclopentanone 340.09
    2-pentanone 128.67
    anisole 124.64
    cyclopentyl methyl ether 94.68
    gamma-butyrolactone 422.02
    1-methoxy-2-propanol 100.09
    pyridine 249.94
    3-pentanone 129.58
    furfural 474.38
    n-dodecane 10.04
    diethylene glycol 96.32
    diisopropyl ether 31.98
    tert-amyl alcohol 75.76
    acetylacetone 214.76
    n-hexadecane 11.17
    acetophenone 172.5
    methyl propionate 144.18
    isopentyl acetate 135.13
    trichloroethylene 439.9
    n-nonanol 51.98
    cyclohexanol 60.24
    benzyl alcohol 88.32
    2-ethylhexanol 55.45
    isooctanol 37.4
    dipropyl ether 72.59
    1,2-dichlorobenzene 170.63
    ethyl lactate 72.11
    propylene carbonate 244.97
    n-methylformamide 242.01
    2-pentanol 43.77
    n-pentane 14.41
    1-propoxy-2-propanol 91.05
    1-methoxy-2-propyl acetate 123.63
    2-(2-methoxypropoxy) propanol 124.56
    mesitylene 32.97
    ε-caprolactone 220.71
    p-cymene 45.86
    epichlorohydrin 267.92
    1,1,1-trichloroethane 195.19
    2-aminoethanol 70.31
    morpholine-4-carbaldehyde 372.49
    sulfolane 502.1
    2,2,4-trimethylpentane 12.23
    2-methyltetrahydrofuran 165.26
    n-hexyl acetate 156.66
    isooctane 8.14
    2-(2-butoxyethoxy)ethanol 153.66
    sec-butyl acetate 87.05
    tert-butyl acetate 96.99
    decalin 17.06
    glycerin 71.74
    diglyme 334.6
    acrylic acid 235.78
    isopropyl myristate 62.87
    n-butyric acid 154.06
    acetyl acetate 168.24
    di(2-ethylhexyl) phthalate 68.39
    ethyl propionate 113.04
    nitromethane 686.86
    1,2-diethoxyethane 178.81
    benzonitrile 206.03
    trioctyl phosphate 49.87
    1-bromopropane 96.43
    gamma-valerolactone 357.26
    n-decanol 39.77
    triethyl phosphate 69.08
    4-methyl-2-pentanol 31.43
    propionitrile 145.04
    vinylene carbonate 261.94
    1,1,2-trichlorotrifluoroethane 246.02
    DMS 185.27
    cumene 39.46
    2-octanol 38.4
    2-hexanone 153.23
    octyl acetate 80.07
    limonene 60.19
    1,2-dimethoxyethane 222.82
    ethyl orthosilicate 60.86
    tributyl phosphate 73.28
    diacetone alcohol 100.74
    N,N-dimethylaniline 95.4
    acrylonitrile 235.0
    aniline 87.64
    1,3-propanediol 77.08
    bromobenzene 159.77
    dibromomethane 194.58
    1,1,2,2-tetrachloroethane 290.21
    2-methyl-cyclohexyl acetate 97.74
    tetrabutyl urea 96.21
    diisobutyl methanol 37.24
    2-phenylethanol 87.71
    styrene 76.37
    dioctyl adipate 102.53
    dimethyl sulfate 199.93
    ethyl butyrate 132.13
    methyl lactate 87.54
    butyl lactate 93.55
    diethyl carbonate 109.89
    propanediol butyl ether 106.48
    triethyl orthoformate 89.72
    p-tert-butyltoluene 39.37
    methyl 4-tert-butylbenzoate 119.35
    morpholine 166.03
    tert-butylamine 51.78
    n-dodecanol 32.58
    dimethoxymethane 144.51
    ethylene carbonate 181.05
    cyrene 114.88
    2-ethoxyethyl acetate 155.8
    2-ethylhexyl acetate 120.21
    1,2,4-trichlorobenzene 193.78
    4-methylpyridine 242.56
    dibutyl ether 94.63
    2,6-dimethyl-4-heptanol 37.24
    DEF 208.59
    dimethyl isosorbide 196.5
    tetrachloroethylene 223.3
    eugenol 130.47
    triacetin 207.11
    span 80 109.85
    1,4-butanediol 49.84
    1,1-dichloroethane 177.25
    2-methyl-1-pentanol 58.84
    methyl formate 225.67
    2-methyl-1-butanol 53.48
    n-decane 15.22
    butyronitrile 124.44
    3,7-dimethyl-1-octanol 60.43
    1-chlorooctane 50.25
    1-chlorotetradecane 24.08
    n-nonane 15.54
    undecane 11.88
    tert-butylcyclohexane 16.28
    cyclooctane 8.78
    cyclopentanol 83.09
    tetrahydropyran 122.55
    tert-amyl methyl ether 68.63
    2,5,8-trioxanonane 231.11
    1-hexene 57.29
    2-isopropoxyethanol 82.74
    2,2,2-trifluoroethanol 155.37
    methyl butyrate 164.85

    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