Methyl Isocyanate

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  • Identifiers

    CAS number
    624-83-9

    Molecular formula
    C2H3NO

    SMILES
    CN=C=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Pungent 67.8%
    Sharp 37.34%
    Radish 37.09%
    Green 34.31%
    Odorless 33.54%
    Ethereal 28.7%
    Fruity 25.98%
    Alliaceous 25.27%
    Nutty 24.97%
    Almond 22.92%

     

    Flavor
    Pungent 64.47%
    Mustard 56.62%
    Sulfur 39.51%
    Bitter 35.33%
    Garlic 34.11%
    Horseradish 33.88%
    Odorless 26.72%
    Formyl 25.65%
    Strong 22.92%
    Rotten 22.74%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor Threshold Low: 2.1 [mmHg]. Odor threshold from AIHA
    • The odor warning when the exposure limit value is exceeded is insufficient.
    • Air: 2.1 uL/L; odor safety class E. E= less than 10% of attentive persons can detect the TLV.

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.03 (neutral)

    Molecular weight
    57.05 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -112 °F (EPA, 1998)
    • -45 °C
    • -80 °C
    • -112 °F
    • -49 °F

    Boiling point

    • 102 °F at 760 mmHg (EPA, 1998)
    • 39.5 °C
    • 39 °C
    • 102 °F
    • 102-104 °F

    Flash point

    • -25.08 ˚C est.
    • 19 °F (EPA, 1998)
    • -7 °C
    • 19 °F (-7 °C) (Closed cup)
    • -7 °C c.c.
    • 19 °F

    Solubility expt.

    • Decomposes (NTP, 1992)
    • 10 G/100 ML WATER AT 15 °C
    • Solubility in water at 20 °C: reaction
    • (59 °F): 10%

  • Synonyms

    • METHYL ISOCYANATE
    • Isocyanatomethane
    • 624-83-9
    • Methane, isocyanato-
    • Methyl carbonimide
    • methylisocyanate
    • Methylcarbylamine
    • Iso-cyanatomethane
    • Isocyanate de methyle
    • (Methylimino)(oxo)methane
    • methylimino(oxo)methane
    • Methylisocyanaat
    • Isocyanic acid, methyl ester
    • Methyl isocyanat
    • Metil isocianato
    • Methylisokyanat
    • Isocyanate, methyl-
    • RCRA waste number P064
    • NSC 64323
    • CCRIS 1385
    • TL 1450
    • UN 2480
    • CHEBI:59059
    • HSDB 1165
    • EINECS 210-866-3
    • MIC
    • UNII-C588JJ4BV9
    • MIC [Isocyanate]
    • BRN 0605318
    • C588JJ4BV9
    • DTXSID1023786
    • AI3-28280
    • CH3NCO
    • NSC-64323
    • DTXCID503786
    • 4-04-00-00247 (Beilstein Handbook Reference)
    • MIC (Isocyanate)
    • Methylisokyanat [Czech]
    • Methylisocyanaat [Dutch]
    • Methyl isocyanat [German]
    • Metil isocianato [Italian]
    • Isocyanate de methyle [French]
    • MP-NCO
    • UN2480
    • RCRA waste no. P064
    • Methyl isocyanat [German]
    • Methyl isocynate
    • Methyl-isocyanate
    • MeNCO
    • methylimino-oxomethane
    • Me-NCO
    • ISOCYANATE METHANE
    • Epitope ID:122968
    • WLN: OCN1
    • ISOCIANATO DE METILO
    • methane, (methylimino)oxo-
    • METHYL CARBONYL AMINE
    • (Methylimino)(oxo)methane #
    • METHYL ISOCYANATE [MI]
    • GTPL6290
    • ISOCYANATE METHYL METHANE
    • methylimino(oxidanylidene)methane
    • CHEMBL1608558
    • METHYL ISOCYANATE [HSDB]
    • ALBB-007556
    • NSC64323
    • Tox21_201060
    • STK504617
    • AKOS005171723
    • DB12765
    • GS-3554
    • Methyl isocyanate [UN2480] [Poison]
    • NCGC00091082-01
    • NCGC00091082-02
    • NCGC00258613-01
    • CAS-624-83-9
    • InChI=1/C2H3NO/c1-3-2-4/h1H
    • METHYLISOCYANATE 1 X 500MG NEAT
    • NS00022542
    • C22645
    • H24636
    • A833804
    • Q410431
    • 210-866-3
    • ScavengePore(TM) benzyl isocyanate, macroporous, 40-70 mesh, extent of labeling: 0.5-2.0 mmol/g loading
    • StratoSpheres(TM) PL-NCO (Isocyanate) resin, 150-300 mum, extent of labeling: >=1.5 mmol/g loading, 1 % cross-linked

  • Applications

    Methyl isocyanate (CAS 624-83-9) is a key intermediate in polyurethane chemistry, used to produce polyurethane polymers and prepolymers for foams (rigid and flexible), coatings and paints, adhesives and sealants, as well as elastomers and polyurea-based protective coatings. It is also a feedstock for the synthesis of carbamate pesticides in agriculture and related isocyanate derivatives. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 167.93
    methanol 228.16
    isopropanol 120.26
    water 103.59
    ethyl acetate 37.99
    n-propanol 105.81
    acetone 93.53
    n-butanol 95.87
    acetonitrile 109.12
    DMF 227.85
    toluene 28.25
    isobutanol 91.72
    1,4-dioxane 81.37
    methyl acetate 70.85
    THF 87.41
    2-butanone 71.96
    n-pentanol 58.31
    sec-butanol 102.2
    n-hexane 7.82
    ethylene glycol 69.7
    NMP 215.86
    cyclohexane 7.52
    DMSO 188.12
    n-butyl acetate 24.26
    n-octanol 29.29
    chloroform 169.55
    n-propyl acetate 23.96
    acetic acid 316.91
    dichloromethane 175.87
    cyclohexanone 76.75
    propylene glycol 64.0
    isopropyl acetate 22.74
    DMAc 215.9
    2-ethoxyethanol 84.92
    isopentanol 84.24
    n-heptane 5.0
    ethyl formate 62.13
    1,2-dichloroethane 86.77
    n-hexanol 35.28
    2-methoxyethanol 154.98
    isobutyl acetate 15.33
    tetrachloromethane 46.92
    n-pentyl acetate 27.81
    transcutol 109.63
    n-heptanol 30.28
    ethylbenzene 17.64
    MIBK 30.35
    2-propoxyethanol 53.78
    tert-butanol 140.22
    MTBE 66.67
    2-butoxyethanol 52.32
    propionic acid 116.34
    o-xylene 32.44
    formic acid 291.97
    diethyl ether 42.86
    m-xylene 21.17
    p-xylene 31.89
    chlorobenzene 48.62
    dimethyl carbonate 24.89
    n-octane 2.97
    formamide 315.04
    cyclopentanone 95.59
    2-pentanone 45.87
    anisole 39.14
    cyclopentyl methyl ether 42.79
    gamma-butyrolactone 119.69
    1-methoxy-2-propanol 98.21
    pyridine 117.36
    3-pentanone 35.19
    furfural 152.87
    n-dodecane 2.34
    diethylene glycol 52.15
    diisopropyl ether 11.73
    tert-amyl alcohol 136.07
    acetylacetone 40.18
    n-hexadecane 2.47
    acetophenone 48.26
    methyl propionate 43.31
    isopentyl acetate 26.79
    trichloroethylene 189.16
    n-nonanol 24.91
    cyclohexanol 67.23
    benzyl alcohol 52.73
    2-ethylhexanol 23.58
    isooctanol 26.86
    dipropyl ether 15.81
    1,2-dichlorobenzene 48.78
    ethyl lactate 21.37
    propylene carbonate 63.51
    n-methylformamide 164.59
    2-pentanol 60.89
    n-pentane 10.57
    1-propoxy-2-propanol 37.51
    1-methoxy-2-propyl acetate 24.12
    2-(2-methoxypropoxy) propanol 44.72
    mesitylene 14.54
    ε-caprolactone 69.37
    p-cymene 14.13
    epichlorohydrin 118.0
    1,1,1-trichloroethane 81.62
    2-aminoethanol 108.32
    morpholine-4-carbaldehyde 145.96
    sulfolane 146.52
    2,2,4-trimethylpentane 8.82
    2-methyltetrahydrofuran 89.91
    n-hexyl acetate 34.75
    isooctane 4.33
    2-(2-butoxyethoxy)ethanol 53.62
    sec-butyl acetate 15.7
    tert-butyl acetate 27.79
    decalin 5.53
    glycerin 84.77
    diglyme 99.72
    acrylic acid 141.43
    isopropyl myristate 12.77
    n-butyric acid 99.55
    acetyl acetate 27.17
    di(2-ethylhexyl) phthalate 22.02
    ethyl propionate 20.39
    nitromethane 259.81
    1,2-diethoxyethane 31.31
    benzonitrile 63.48
    trioctyl phosphate 14.0
    1-bromopropane 48.82
    gamma-valerolactone 123.14
    n-decanol 17.46
    triethyl phosphate 16.69
    4-methyl-2-pentanol 34.6
    propionitrile 63.97
    vinylene carbonate 69.37
    1,1,2-trichlorotrifluoroethane 139.89
    DMS 27.32
    cumene 16.29
    2-octanol 23.91
    2-hexanone 30.49
    octyl acetate 18.59
    limonene 19.05
    1,2-dimethoxyethane 94.57
    ethyl orthosilicate 16.46
    tributyl phosphate 16.02
    diacetone alcohol 58.73
    N,N-dimethylaniline 44.34
    acrylonitrile 101.54
    aniline 68.21
    1,3-propanediol 116.05
    bromobenzene 39.85
    dibromomethane 106.13
    1,1,2,2-tetrachloroethane 138.28
    2-methyl-cyclohexyl acetate 22.5
    tetrabutyl urea 23.2
    diisobutyl methanol 15.69
    2-phenylethanol 37.23
    styrene 21.42
    dioctyl adipate 20.77
    dimethyl sulfate 50.44
    ethyl butyrate 20.06
    methyl lactate 36.89
    butyl lactate 28.12
    diethyl carbonate 16.7
    propanediol butyl ether 52.69
    triethyl orthoformate 17.83
    p-tert-butyltoluene 14.14
    methyl 4-tert-butylbenzoate 45.32
    morpholine 119.12
    tert-butylamine 88.54
    n-dodecanol 12.61
    dimethoxymethane 72.79
    ethylene carbonate 45.55
    cyrene 54.98
    2-ethoxyethyl acetate 33.93
    2-ethylhexyl acetate 20.91
    1,2,4-trichlorobenzene 67.32
    4-methylpyridine 112.91
    dibutyl ether 18.96
    2,6-dimethyl-4-heptanol 15.69
    DEF 84.46
    dimethyl isosorbide 60.45
    tetrachloroethylene 119.16
    eugenol 49.88
    triacetin 34.1
    span 80 41.71
    1,4-butanediol 51.16
    1,1-dichloroethane 89.62
    2-methyl-1-pentanol 58.66
    methyl formate 109.64
    2-methyl-1-butanol 90.62
    n-decane 3.72
    butyronitrile 63.5
    3,7-dimethyl-1-octanol 26.88
    1-chlorooctane 13.75
    1-chlorotetradecane 5.79
    n-nonane 3.67
    undecane 2.81
    tert-butylcyclohexane 6.4
    cyclooctane 3.03
    cyclopentanol 82.36
    tetrahydropyran 64.53
    tert-amyl methyl ether 56.03
    2,5,8-trioxanonane 68.98
    1-hexene 22.73
    2-isopropoxyethanol 52.13
    2,2,2-trifluoroethanol 137.33
    methyl butyrate 37.23

    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