2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

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  • Identifiers

    CAS number
    57966-95-7

    Molecular formula
    C7H10N4O3

    SMILES
    CCNC(=O)NC(=O)C(=NOC)C#N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 51.84%
    Savory 33.67%
    Meaty 33.65%
    Roasted 25.13%
    Cooked 23.01%
    Cooling 22.21%
    Sweet 19.77%
    Pungent 18.69%
    Mint 16.58%
    Popcorn 16.02%

     

    Flavor
    Bitter 52.98%
    Odorless 42.24%
    Very mild 24.25%
    Bland 23.14%
    Cooked 21.94%
    Mild 20.6%
    Yeast 19.76%
    Taco 19.7%
    Roasted 19.38%
    Nitrile 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.84 (neutral)

    Molecular weight
    198.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    423°C

    Melting point expt.

    • 160-161 °C
    • Peach color; mp: 159-160 °C /Technical/

    Flash point

    • 149.33 ˚C est.

    Solubility expt.

    • Hexane: 1.85; toluene: 5.29; acetonitrile: 57; ethyl acetate: 28; n-octanol: 1.43; methanol: 22.9 g/L; acetone: 62.4 g/L; methylene chloride: 133.0 (all in g/L at 20 °C)
    • In water, 890 mg/L at 20 °C

  • Synonyms

    • CYMOXANIL
    • 57966-95-7
    • 2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
    • 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide
    • XERJKGMBORTKEO-UHFFFAOYSA-N
    • AKOS025243630
    • DB-009173
    • E79253
    • 1-(2-cyano-2-methoxyiminoacetyl)-3-ethyl urea

  • Applications

    2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (CAS 57966-95-7) is a specialized organic synthesis intermediate used to introduce amide, methoxy-imide, and activated nitrile functionalities in complex molecules; it is typically evaluated as a building block for pharmaceutical and agrochemical candidate synthesis; it can serve as a reactive intermediate in polymer and materials research to prepare functional monomers or crosslinkable species; in coatings, inks, and adhesives applications it may act as a reactive precursor for surface modification or formulation components; and in research settings it is used as a reagent to construct heterocycles and advanced scaffolds, with the exact scope governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.08
    methanol 7.74
    isopropanol 1.25
    water 0.55
    ethyl acetate 4.55
    n-propanol 1.35
    acetone 18.44
    n-butanol 0.96
    acetonitrile 7.46
    DMF 155.26
    toluene 0.56
    isobutanol 0.89
    1,4-dioxane 5.24
    methyl acetate 9.47
    THF 20.53
    2-butanone 7.46
    n-pentanol 0.78
    sec-butanol 0.79
    n-hexane 0.05
    ethylene glycol 7.14
    NMP 228.95
    cyclohexane 0.06
    DMSO 244.84
    n-butyl acetate 3.76
    n-octanol 0.34
    chloroform 7.17
    n-propyl acetate 3.68
    acetic acid 25.37
    dichloromethane 11.47
    cyclohexanone 12.13
    propylene glycol 5.62
    isopropyl acetate 2.74
    DMAc 169.22
    2-ethoxyethanol 7.43
    isopentanol 0.89
    n-heptane 0.04
    ethyl formate 8.01
    1,2-dichloroethane 7.13
    n-hexanol 0.73
    2-methoxyethanol 20.87
    isobutyl acetate 2.13
    tetrachloromethane 0.8
    n-pentyl acetate 1.53
    transcutol 16.3
    n-heptanol 0.39
    ethylbenzene 0.47
    MIBK 2.61
    2-propoxyethanol 7.74
    tert-butanol 1.5
    MTBE 0.94
    2-butoxyethanol 3.29
    propionic acid 7.61
    o-xylene 0.74
    formic acid 33.94
    diethyl ether 0.79
    m-xylene 0.57
    p-xylene 0.8
    chlorobenzene 2.29
    dimethyl carbonate 13.16
    n-octane 0.01
    formamide 52.22
    cyclopentanone 31.16
    2-pentanone 4.41
    anisole 3.13
    cyclopentyl methyl ether 3.06
    gamma-butyrolactone 48.76
    1-methoxy-2-propanol 10.3
    pyridine 9.14
    3-pentanone 3.75
    furfural 68.73
    n-dodecane 0.02
    diethylene glycol 14.92
    diisopropyl ether 0.24
    tert-amyl alcohol 1.16
    acetylacetone 16.63
    n-hexadecane 0.02
    acetophenone 7.74
    methyl propionate 8.54
    isopentyl acetate 3.48
    trichloroethylene 20.4
    n-nonanol 0.36
    cyclohexanol 0.96
    benzyl alcohol 3.59
    2-ethylhexanol 0.59
    isooctanol 0.36
    dipropyl ether 0.83
    1,2-dichlorobenzene 3.81
    ethyl lactate 6.44
    propylene carbonate 23.78
    n-methylformamide 38.78
    2-pentanol 0.42
    n-pentane 0.03
    1-propoxy-2-propanol 4.4
    1-methoxy-2-propyl acetate 9.02
    2-(2-methoxypropoxy) propanol 8.69
    mesitylene 0.43
    ε-caprolactone 12.13
    p-cymene 0.62
    epichlorohydrin 32.29
    1,1,1-trichloroethane 4.24
    2-aminoethanol 6.11
    morpholine-4-carbaldehyde 79.75
    sulfolane 141.32
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 5.9
    n-hexyl acetate 1.91
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.34
    sec-butyl acetate 1.93
    tert-butyl acetate 3.74
    decalin 0.07
    glycerin 19.52
    diglyme 17.19
    acrylic acid 16.42
    isopropyl myristate 0.8
    n-butyric acid 5.69
    acetyl acetate 6.6
    di(2-ethylhexyl) phthalate 2.96
    ethyl propionate 3.93
    nitromethane 95.86
    1,2-diethoxyethane 2.14
    benzonitrile 5.53
    trioctyl phosphate 1.32
    1-bromopropane 1.14
    gamma-valerolactone 52.1
    n-decanol 0.27
    triethyl phosphate 4.21
    4-methyl-2-pentanol 0.35
    propionitrile 2.78
    vinylene carbonate 21.87
    1,1,2-trichlorotrifluoroethane 61.57
    DMS 8.5
    cumene 0.46
    2-octanol 0.19
    2-hexanone 3.25
    octyl acetate 1.19
    limonene 0.77
    1,2-dimethoxyethane 14.36
    ethyl orthosilicate 2.73
    tributyl phosphate 2.19
    diacetone alcohol 8.05
    N,N-dimethylaniline 3.32
    acrylonitrile 8.84
    aniline 2.36
    1,3-propanediol 5.51
    bromobenzene 2.01
    dibromomethane 4.43
    1,1,2,2-tetrachloroethane 15.28
    2-methyl-cyclohexyl acetate 4.1
    tetrabutyl urea 4.06
    diisobutyl methanol 0.42
    2-phenylethanol 3.02
    styrene 0.66
    dioctyl adipate 2.96
    dimethyl sulfate 67.75
    ethyl butyrate 3.58
    methyl lactate 16.66
    butyl lactate 3.44
    diethyl carbonate 3.7
    propanediol butyl ether 4.26
    triethyl orthoformate 2.93
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 6.68
    morpholine 9.02
    tert-butylamine 0.55
    n-dodecanol 0.21
    dimethoxymethane 17.81
    ethylene carbonate 12.16
    cyrene 21.73
    2-ethoxyethyl acetate 3.94
    2-ethylhexyl acetate 2.54
    1,2,4-trichlorobenzene 6.6
    4-methylpyridine 8.27
    dibutyl ether 0.45
    2,6-dimethyl-4-heptanol 0.42
    DEF 14.44
    dimethyl isosorbide 22.99
    tetrachloroethylene 8.71
    eugenol 7.45
    triacetin 7.74
    span 80 4.92
    1,4-butanediol 2.51
    1,1-dichloroethane 3.38
    2-methyl-1-pentanol 0.83
    methyl formate 34.4
    2-methyl-1-butanol 0.8
    n-decane 0.02
    butyronitrile 2.46
    3,7-dimethyl-1-octanol 0.5
    1-chlorooctane 0.19
    1-chlorotetradecane 0.1
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.06
    cyclooctane 0.02
    cyclopentanol 2.44
    tetrahydropyran 2.04
    tert-amyl methyl ether 1.04
    2,5,8-trioxanonane 14.6
    1-hexene 0.21
    2-isopropoxyethanol 3.72
    2,2,2-trifluoroethanol 19.59
    methyl butyrate 6.49

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
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Rinse-off products applied to the hair with some hand contact
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Category 2
Products applied to the axillae
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Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
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Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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Products with body and hand exposure, primarily rinse off
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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
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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
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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
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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
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