Methoxymethyl isocyanate

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  • Identifiers

    CAS number
    6427-21-0

    Molecular formula
    C3H5NO2

    SMILES
    COCN=C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 58.86%
    Ethereal 38.7%
    Green 38.27%
    Sharp 36.16%
    Radish 35.01%
    Fruity 31.13%
    Fresh 27.2%
    Vegetable 25.93%
    Alliaceous 25.59%
    Nutty 24.59%

     

    Flavor
    Pungent 53.48%
    Mustard 44.25%
    Nutty 31.9%
    Sulfur 31.67%
    Garlic 31.51%
    Horseradish 30.36%
    Bitter 27.87%
    Vegetable 27.05%
    Sulfurous 22.97%
    Cabbage 22.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.7 (weak acid)

    Molecular weight
    87.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    85°C

    Flash point

    • 5.62 ˚C est.

  • Synonyms

    • Methoxymethyl isocyanate
    • isocyanato(methoxy)methane
    • 6427-21-0
    • Methane, isocyanatomethoxy-
    • Isocyanic acid, methoxymethyl ester
    • EINECS 229-197-3
    • UN2605
    • DTXSID6074839
    • methoxymethylisocyanat
    • methoxymethylisocyanate
    • Methane, isocyanatomethoxy
    • DTXCID2044262
    • ISOCYANATOMETHYL METHYL ETHER
    • MFCD01940566
    • AKOS000177661
    • NS00035663
    • EN300-109914
    • F8881-4397
    • Methoxymethyl isocyanate [UN2605] [Flammable liquid]
    • 229-197-3

  • Applications

    Methoxymethyl isocyanate (CAS 6427-21-0) is primarily used as an active reactive intermediate in polyurethane and urethane/urea polymer synthesis. It serves as a precursor to form urethane and carbamate linkages in polymer systems upon reaction with polyols, and is employed to prepare polyurethane prepolymers, durable industrial coatings, and adhesives, as well as high-performance thermoset resins. It can also be used in the synthesis of specialty polymers and coating/adhesive formulations, acting as a linking or functionalizing reagent in polyurethane and polyurea systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.26
    methanol 377.04
    isopropanol 116.65
    water 49.88
    ethyl acetate 50.83
    n-propanol 98.58
    acetone 132.81
    n-butanol 67.96
    acetonitrile 93.24
    DMF 692.88
    toluene 23.15
    isobutanol 64.88
    1,4-dioxane 145.08
    methyl acetate 103.54
    THF 146.59
    2-butanone 70.17
    n-pentanol 34.09
    sec-butanol 64.93
    n-hexane 2.57
    ethylene glycol 235.05
    NMP 347.76
    cyclohexane 6.26
    DMSO 378.85
    n-butyl acetate 27.27
    n-octanol 21.93
    chloroform 147.8
    n-propyl acetate 24.15
    acetic acid 315.99
    dichloromethane 147.48
    cyclohexanone 81.73
    propylene glycol 180.16
    isopropyl acetate 25.91
    DMAc 418.33
    2-ethoxyethanol 124.6
    isopentanol 46.2
    n-heptane 3.96
    ethyl formate 80.93
    1,2-dichloroethane 84.95
    n-hexanol 38.85
    2-methoxyethanol 372.36
    isobutyl acetate 15.55
    tetrachloromethane 34.67
    n-pentyl acetate 15.09
    transcutol 165.24
    n-heptanol 20.66
    ethylbenzene 11.58
    MIBK 24.3
    2-propoxyethanol 110.44
    tert-butanol 120.08
    MTBE 48.78
    2-butoxyethanol 57.64
    propionic acid 124.38
    o-xylene 24.84
    formic acid 387.51
    diethyl ether 33.22
    m-xylene 17.51
    p-xylene 16.7
    chlorobenzene 39.33
    dimethyl carbonate 58.9
    n-octane 1.51
    formamide 321.44
    cyclopentanone 112.41
    2-pentanone 42.02
    anisole 42.03
    cyclopentyl methyl ether 51.73
    gamma-butyrolactone 146.76
    1-methoxy-2-propanol 194.41
    pyridine 117.09
    3-pentanone 35.0
    furfural 209.29
    n-dodecane 1.66
    diethylene glycol 163.61
    diisopropyl ether 8.33
    tert-amyl alcohol 76.52
    acetylacetone 62.47
    n-hexadecane 1.83
    acetophenone 47.08
    methyl propionate 71.9
    isopentyl acetate 23.98
    trichloroethylene 183.24
    n-nonanol 19.18
    cyclohexanol 57.93
    benzyl alcohol 57.9
    2-ethylhexanol 23.02
    isooctanol 16.11
    dipropyl ether 20.48
    1,2-dichlorobenzene 41.67
    ethyl lactate 39.22
    propylene carbonate 77.92
    n-methylformamide 296.4
    2-pentanol 32.7
    n-pentane 3.98
    1-propoxy-2-propanol 68.55
    1-methoxy-2-propyl acetate 45.51
    2-(2-methoxypropoxy) propanol 64.72
    mesitylene 11.35
    ε-caprolactone 75.65
    p-cymene 13.18
    epichlorohydrin 152.28
    1,1,1-trichloroethane 74.21
    2-aminoethanol 226.24
    morpholine-4-carbaldehyde 300.7
    sulfolane 187.55
    2,2,4-trimethylpentane 3.53
    2-methyltetrahydrofuran 84.0
    n-hexyl acetate 24.27
    isooctane 2.04
    2-(2-butoxyethoxy)ethanol 72.05
    sec-butyl acetate 14.91
    tert-butyl acetate 29.87
    decalin 3.71
    glycerin 272.22
    diglyme 143.34
    acrylic acid 169.53
    isopropyl myristate 10.92
    n-butyric acid 94.69
    acetyl acetate 41.01
    di(2-ethylhexyl) phthalate 22.93
    ethyl propionate 25.03
    nitromethane 339.96
    1,2-diethoxyethane 30.66
    benzonitrile 51.71
    trioctyl phosphate 14.16
    1-bromopropane 34.64
    gamma-valerolactone 189.18
    n-decanol 14.56
    triethyl phosphate 20.98
    4-methyl-2-pentanol 18.89
    propionitrile 58.93
    vinylene carbonate 88.4
    1,1,2-trichlorotrifluoroethane 284.82
    DMS 39.67
    cumene 10.41
    2-octanol 11.44
    2-hexanone 22.35
    octyl acetate 17.09
    limonene 19.16
    1,2-dimethoxyethane 147.33
    ethyl orthosilicate 20.33
    tributyl phosphate 15.81
    diacetone alcohol 70.68
    N,N-dimethylaniline 39.93
    acrylonitrile 104.66
    aniline 70.63
    1,3-propanediol 193.29
    bromobenzene 32.13
    dibromomethane 79.35
    1,1,2,2-tetrachloroethane 155.75
    2-methyl-cyclohexyl acetate 23.88
    tetrabutyl urea 25.83
    diisobutyl methanol 14.45
    2-phenylethanol 44.75
    styrene 16.73
    dioctyl adipate 22.04
    dimethyl sulfate 116.51
    ethyl butyrate 24.46
    methyl lactate 101.37
    butyl lactate 26.64
    diethyl carbonate 20.86
    propanediol butyl ether 68.15
    triethyl orthoformate 21.42
    p-tert-butyltoluene 13.74
    methyl 4-tert-butylbenzoate 46.23
    morpholine 207.06
    tert-butylamine 62.22
    n-dodecanol 11.36
    dimethoxymethane 176.61
    ethylene carbonate 59.27
    cyrene 73.6
    2-ethoxyethyl acetate 27.87
    2-ethylhexyl acetate 18.76
    1,2,4-trichlorobenzene 65.18
    4-methylpyridine 98.81
    dibutyl ether 12.0
    2,6-dimethyl-4-heptanol 14.45
    DEF 110.58
    dimethyl isosorbide 82.23
    tetrachloroethylene 117.54
    eugenol 59.2
    triacetin 40.59
    span 80 53.87
    1,4-butanediol 75.19
    1,1-dichloroethane 77.52
    2-methyl-1-pentanol 26.29
    methyl formate 214.69
    2-methyl-1-butanol 46.25
    n-decane 2.25
    butyronitrile 52.2
    3,7-dimethyl-1-octanol 19.99
    1-chlorooctane 9.76
    1-chlorotetradecane 4.75
    n-nonane 2.04
    undecane 1.89
    tert-butylcyclohexane 3.56
    cyclooctane 2.3
    cyclopentanol 85.18
    tetrahydropyran 69.74
    tert-amyl methyl ether 38.28
    2,5,8-trioxanonane 102.45
    1-hexene 8.67
    2-isopropoxyethanol 65.3
    2,2,2-trifluoroethanol 179.77
    methyl butyrate 39.77

    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