1-Methylimidazole

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  • Identifiers

    CAS number
    616-47-7

    Molecular formula
    C4H6N2

    SMILES
    CN1C=CN=C1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 70.75%
    Roasted 61.03%
    Musty 50.86%
    Earthy 48.15%
    Sweet 45.6%
    Hazelnut 44.53%
    Burnt 42.03%
    Cocoa 41.33%
    Coffee 41.25%
    Green 37.86%

     

    Flavor
    Nutty 57.43%
    Woody 41.96%
    Roasted 39.42%
    Musty 39.38%
    Cocoa 37.81%
    Coffee 36.91%
    Earthy 36.88%
    Green 33.7%
    Hazelnut 33.41%
    Peanut 33.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    5.52 (weak acid)

    Molecular weight
    82.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -6 °C

    Boiling point

    • 195.5 °C

    Flash point

    • 49.42 ˚C est.

    Solubility expt.

    • 1000000 mg/L (at 20 °C)

  • Synonyms

    • 1-methylimidazole
    • 1-Methyl-1H-imidazole
    • 616-47-7
    • N-Methylimidazole
    • 1H-Imidazole, 1-methyl-
    • IMIDAZOLE, 1-METHYL-
    • DTXSID6052291
    • P4617QS63Y
    • NSC-88064
    • 1-methyl-1H-imidazol-3-ium
    • DTXCID6030863
    • CHEBI:113454
    • RefChem:76394
    • 210-484-7
    • methylimidazole
    • N-methylimidazol
    • 1-methylimidazol
    • n-methyl imidazole
    • 1-methyl-imidazole
    • MFCD00005292
    • 1-methylimdazole
    • EINECS 210-484-7
    • N1-Methylimidazole
    • UNII-P4617QS63Y
    • Araldite DY 070
    • NSC 88064
    • 1-Methyl-1H-imidazole; Thiamazole Imp. B (EP); Thiamazole Impurity B
    • 3-methylimidazole
    • N-methyl-imidazol
    • N-methyl-imidazole
    • 1-methyl imidazole
    • 1-N-methylImidazole
    • Lopac-M-8878
    • 1-methyl-(1H)-imidazole
    • CHEMBL543
    • 1-Methyl-1H-imidazole #
    • EC 210-484-7
    • SCHEMBL5063
    • WLN: T5N CNJ A1
    • Lopac0_000831
    • SCHEMBL20112
    • SCHEMBL74373
    • 3-methyl-1H-imidazol-3-ium
    • SCHEMBL152946
    • SCHEMBL192300
    • SCHEMBL221051
    • BDBM7884
    • orb1310480
    • SCHEMBL2497702
    • SCHEMBL4329294
    • SCHEMBL7405616
    • SCHEMBL8310181
    • MSK7913
    • HMS3262H03
    • BB_SC-06980
    • NSC88064
    • STR00990
    • Tox21_304006
    • Tox21_500831
    • BBL011447
    • EBC-02021
    • SBB007574
    • STL146559
    • AKOS000119840
    • CCG-204915
    • CS-W008580
    • FM00853
    • LP00831
    • PS-9372
    • SDCCGSBI-0050808.P002
    • NCGC00015702-01
    • NCGC00015702-02
    • NCGC00015702-03
    • NCGC00015702-04
    • NCGC00094162-01
    • NCGC00094162-02
    • NCGC00261516-01
    • NCGC00357222-01
    • 1-Methylimidazole, ReagentPlus(R), 99%
    • 1-Methylimidazole, redistilled from glass
    • 30346-87-3
    • BP-14201
    • CAS-616-47-7
    • FM179985
    • PD015169
    • DB-002020
    • THIAMAZOLE IMPURITY B [EP IMPURITY]
    • EU-0100831
    • M0508
    • NS00009025
    • ST45136381
    • EN300-21628
    • 1-Methylimidazole, puriss., >=99.0% (GC)
    • D70869
    • M 8878
    • 1-Methylimidazole, Vetec(TM) reagent grade, 98%
    • F995002
    • Methimazole Impurity 2; Thiamazole EP Impurity B
    • SR-01000076013
    • Q4545792
    • SR-01000076013-1
    • 1-Methylimidazole, >=99%, purified by redistillation
    • F0001-1635
    • Z104506032
    • InChI=1/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H
    • 16% v/v 1-Methylimidazole in Tetrahydrofuran 2.5 liter bottle 38-439 PTFE cap
    • Cap B (1-methylimidazole 16% in THF), for oligonucleotide synthesis, filtered through a 1mum filter
    • Capping B (10 % N-methylimidazole in THF / pyridine, V / V = 80 : 10) NC-0803 emp Biotech GmbH
    • Capping B, 16 % NMI in THF, emp Biotech GmbH (THF/N-methylimidazole, V / V = 84 : 16) NC-0801, 450ml : 28-400 thread, 2.5L : GL45 thread
    • 616-47-7

  • Applications

    1-Methylimidazole (CAS 616-47-7) is a versatile building block in organic synthesis and industrial formulations. It is commonly used as an intermediate in the manufacture of pharmaceutical and agrochemical active ingredients; as a catalyst component and ligand precursor for epoxy resin curing and polyurethane foam systems; as a solvent or reaction medium for a range of organic transformations; and as a precursor to imidazole-based catalysts, ionic liquids and other specialty solvents used in coatings, inks and electronics-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1298.98
    methanol 1977.73
    isopropanol 638.66
    water 1601.19
    ethyl acetate 297.35
    n-propanol 770.27
    acetone 507.65
    n-butanol 558.62
    acetonitrile 619.22
    DMF 1874.11
    toluene 127.14
    isobutanol 515.55
    1,4-dioxane 393.19
    methyl acetate 458.92
    THF 519.79
    2-butanone 372.52
    n-pentanol 262.55
    sec-butanol 492.64
    n-hexane 11.08
    ethylene glycol 748.33
    NMP 997.98
    cyclohexane 21.41
    DMSO 671.56
    n-butyl acetate 93.25
    n-octanol 66.84
    chloroform 1071.03
    n-propyl acetate 86.3
    acetic acid 1767.79
    dichloromethane 873.73
    cyclohexanone 292.64
    propylene glycol 659.65
    isopropyl acetate 107.87
    DMAc 1443.97
    2-ethoxyethanol 498.25
    isopentanol 310.78
    n-heptane 15.46
    ethyl formate 405.63
    1,2-dichloroethane 336.11
    n-hexanol 197.85
    2-methoxyethanol 1213.27
    isobutyl acetate 47.08
    tetrachloromethane 276.85
    n-pentyl acetate 68.56
    transcutol 404.71
    n-heptanol 113.1
    ethylbenzene 29.87
    MIBK 88.04
    2-propoxyethanol 364.54
    tert-butanol 473.04
    MTBE 186.91
    2-butoxyethanol 238.79
    propionic acid 803.65
    o-xylene 86.18
    formic acid 2512.02
    diethyl ether 198.15
    m-xylene 76.78
    p-xylene 50.44
    chlorobenzene 184.55
    dimethyl carbonate 192.45
    n-octane 4.94
    formamide 2375.65
    cyclopentanone 446.33
    2-pentanone 213.26
    anisole 109.14
    cyclopentyl methyl ether 218.19
    gamma-butyrolactone 594.42
    1-methoxy-2-propanol 668.57
    pyridine 567.71
    3-pentanone 186.04
    furfural 671.51
    n-dodecane 3.33
    diethylene glycol 372.95
    diisopropyl ether 32.61
    tert-amyl alcohol 383.42
    acetylacetone 170.5
    n-hexadecane 3.47
    acetophenone 109.6
    methyl propionate 357.58
    isopentyl acetate 65.33
    trichloroethylene 817.91
    n-nonanol 57.52
    cyclohexanol 279.51
    benzyl alcohol 209.11
    2-ethylhexanol 80.34
    isooctanol 73.76
    dipropyl ether 72.17
    1,2-dichlorobenzene 138.28
    ethyl lactate 88.06
    propylene carbonate 268.01
    n-methylformamide 1587.87
    2-pentanol 258.41
    n-pentane 25.84
    1-propoxy-2-propanol 222.46
    1-methoxy-2-propyl acetate 105.19
    2-(2-methoxypropoxy) propanol 104.3
    mesitylene 32.82
    ε-caprolactone 262.66
    p-cymene 30.01
    epichlorohydrin 550.14
    1,1,1-trichloroethane 413.46
    2-aminoethanol 1214.36
    morpholine-4-carbaldehyde 709.86
    sulfolane 442.54
    2,2,4-trimethylpentane 14.39
    2-methyltetrahydrofuran 368.54
    n-hexyl acetate 69.17
    isooctane 6.28
    2-(2-butoxyethoxy)ethanol 158.78
    sec-butyl acetate 48.47
    tert-butyl acetate 77.55
    decalin 6.57
    glycerin 877.93
    diglyme 289.24
    acrylic acid 894.64
    isopropyl myristate 19.76
    n-butyric acid 776.33
    acetyl acetate 143.78
    di(2-ethylhexyl) phthalate 37.78
    ethyl propionate 82.64
    nitromethane 1561.3
    1,2-diethoxyethane 88.82
    benzonitrile 196.25
    trioctyl phosphate 24.18
    1-bromopropane 183.03
    gamma-valerolactone 586.7
    n-decanol 38.59
    triethyl phosphate 36.41
    4-methyl-2-pentanol 94.5
    propionitrile 408.28
    vinylene carbonate 317.98
    1,1,2-trichlorotrifluoroethane 764.69
    DMS 64.56
    cumene 22.57
    2-octanol 51.04
    2-hexanone 81.95
    octyl acetate 36.42
    limonene 46.91
    1,2-dimethoxyethane 296.63
    ethyl orthosilicate 36.95
    tributyl phosphate 25.94
    diacetone alcohol 183.66
    N,N-dimethylaniline 89.69
    acrylonitrile 593.14
    aniline 415.12
    1,3-propanediol 886.46
    bromobenzene 141.79
    dibromomethane 474.75
    1,1,2,2-tetrachloroethane 522.82
    2-methyl-cyclohexyl acetate 46.25
    tetrabutyl urea 40.33
    diisobutyl methanol 33.29
    2-phenylethanol 149.83
    styrene 44.34
    dioctyl adipate 33.04
    dimethyl sulfate 273.95
    ethyl butyrate 67.65
    methyl lactate 302.53
    butyl lactate 74.14
    diethyl carbonate 45.22
    propanediol butyl ether 155.57
    triethyl orthoformate 49.1
    p-tert-butyltoluene 28.88
    methyl 4-tert-butylbenzoate 91.07
    morpholine 689.93
    tert-butylamine 273.26
    n-dodecanol 26.79
    dimethoxymethane 474.57
    ethylene carbonate 227.65
    cyrene 132.21
    2-ethoxyethyl acetate 109.14
    2-ethylhexyl acetate 49.91
    1,2,4-trichlorobenzene 190.47
    4-methylpyridine 487.37
    dibutyl ether 32.94
    2,6-dimethyl-4-heptanol 33.29
    DEF 440.95
    dimethyl isosorbide 122.64
    tetrachloroethylene 465.67
    eugenol 114.5
    triacetin 74.57
    span 80 107.4
    1,4-butanediol 346.02
    1,1-dichloroethane 497.57
    2-methyl-1-pentanol 168.44
    methyl formate 819.12
    2-methyl-1-butanol 397.87
    n-decane 5.69
    butyronitrile 346.62
    3,7-dimethyl-1-octanol 49.25
    1-chlorooctane 25.06
    1-chlorotetradecane 8.6
    n-nonane 5.35
    undecane 4.21
    tert-butylcyclohexane 7.25
    cyclooctane 6.27
    cyclopentanol 422.04
    tetrahydropyran 294.12
    tert-amyl methyl ether 147.44
    2,5,8-trioxanonane 177.02
    1-hexene 40.91
    2-isopropoxyethanol 243.56
    2,2,2-trifluoroethanol 1045.2
    methyl butyrate 126.4

    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