2-Methylimidazole

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  • Identifiers

    CAS number
    693-98-1

    Molecular formula
    C4H6N2

    SMILES
    CC1=NC=CN1

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Nutty 78.44%
    Roasted 67.35%
    Musty 56.18%
    Cocoa 55.14%
    Meaty 50.42%
    Burnt 48.67%
    Hazelnut 47.77%
    Coffee 46.3%
    Green 45.31%
    Earthy 43.97%

     

    Flavor
    Nutty 64.22%
    Roasted 48.22%
    Cocoa 47.03%
    Bitter 46.08%
    Coffee 38.73%
    Musty 36.19%
    Peanut 35.43%
    Hazelnut 34.6%
    Chocolate 34.16%
    Vegetable 31.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.9 (neutral)

    Molecular weight
    82.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 144 °C

    Boiling point

    • 267 °C

    Flash point

    • 98.16 ˚C est.

    Solubility expt.

    • Very soluble in ethanol

  • Synonyms

    • 2-METHYLIMIDAZOLE
    • 693-98-1
    • 2-Methyl-1H-imidazole
    • 1H-Imidazole, 2-methyl-
    • DTXSID4022107
    • T0049Z45LZ
    • CUREZOL-2MZ-P
    • IMICURE-AMI 2
    • EPICURE-MI 2
    • EPIKURE-MI 2
    • NSC-21394
    • DTXCID202107
    • RefChem:88340
    • 211-765-7
    • Imidazole, 2-methyl-
    • 2-Methylglyoxaline
    • 2-methyl imidazole
    • MFCD00005190
    • Ondansetron EP Impurity F
    • CHEMBL293391
    • NSC 21394-d5
    • 2MZ
    • NCGC00091456-01
    • 2-methylimidazol
    • 2-Methyl-1H-imidazole; 1H-2-Methylimidazole; 2-Methylimidazole; 2MI; 2MZ; 2MZ-H
    • CAS-693-98-1
    • CCRIS 2459
    • EINECS 211-765-7
    • NSC 21394
    • methylimidazol
    • Methyl imidazol
    • UNII-T0049Z45LZ
    • 2methylimidazole
    • methyl-imidazole
    • AI3-50033
    • 2-metylimidazole
    • 2-Methylimdazole
    • HSDB 7756
    • 2-methyl-imidazol
    • 2-methyl-imidazole
    • 2-Methyl glyoxaline
    • 2-methyl-1h-imidazol
    • 2-Methylimidazole, 99%
    • SCHEMBL167
    • EC 211-765-7
    • Ondansetron impurity F CRS
    • SCHEMBL5294
    • METHYLIMIDAZOLE, 2-
    • WLN: T5M CNJ B1
    • SCHEMBL61745
    • MLS001065618
    • SCHEMBL155867
    • SCHEMBL194681
    • SCHEMBL443875
    • orb3026054
    • orb3027161
    • SCHEMBL1174216
    • SCHEMBL9901878
    • 2-METHYLIMIDAZOLE [HSDB]
    • 2-METHYLIMIDAZOLE [IARC]
    • HMS3039F06
    • BB_SC-06891
    • NSC21394
    • STR02220
    • Tox21_111136
    • Tox21_201316
    • Tox21_302808
    • BBL013047
    • BDBM50295560
    • EBC-14487
    • SBB040944
    • STK301707
    • AKOS000118836
    • CS-W019983
    • FM11130
    • PB43299
    • MSK001052-1000M
    • NCGC00091456-02
    • NCGC00256531-01
    • NCGC00258868-01
    • PD063450
    • SMR000568464
    • 2-Methylimidazole (Ondansetron Impurity F)
    • M0345
    • NS00010845
    • ST45053717
    • EN300-21278
    • C19261
    • D77862
    • A833348
    • A836474
    • F157400
    • 2-Methylimidazole Solution in Methanol, 1000ug/mL
    • BRD-K68534611-001-07-8
    • Q21099566
    • F2190-0640
    • Z104494990
    • InChI=1/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6
    • ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY F [EP IMPURITY]
    • 2-Methylimidazole, >=95.0% (HPLC), pharmaceutical impurity standard
    • Ondansetron impurity F, European Pharmacopoeia (EP) Reference Standard
    • ONDANSETRON HYDROCHLORIDE IMPURITY, 2-METHYLIMIDAZOLE- [USP IMPURITY]
    • 2-Methylimidazole (Ondansetron Impurity F), Pharmaceutical Secondary Standard; Certified Reference Material
    • 693-98-1

  • Applications

    2-Methylimidazole (CAS 693-98-1) is commonly used as an epoxy-curing catalyst/accelerator in coatings, adhesives, and electronics encapsulation; it also serves as an intermediate in the synthesis of imidazole-containing pharmaceuticals and agrochemicals; it functions as a ligand/linker in the preparation of metal-organic frameworks (MOFs) such as ZIF-8; it is used as a catalyst or precursor in polyurethane foam formulations; and it serves as a versatile building block for functional polymers and specialty materials through post-functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 656.12
    methanol 1275.16
    isopropanol 356.98
    water 461.6
    ethyl acetate 152.15
    n-propanol 387.74
    acetone 349.75
    n-butanol 287.34
    acetonitrile 236.58
    DMF 1711.64
    toluene 36.57
    isobutanol 244.78
    1,4-dioxane 195.11
    methyl acetate 226.52
    THF 345.82
    2-butanone 203.69
    n-pentanol 149.92
    sec-butanol 221.37
    n-hexane 4.62
    ethylene glycol 424.99
    NMP 830.87
    cyclohexane 5.0
    DMSO 588.61
    n-butyl acetate 31.03
    n-octanol 33.37
    chloroform 319.93
    n-propyl acetate 36.82
    acetic acid 530.11
    dichloromethane 254.08
    cyclohexanone 163.54
    propylene glycol 442.67
    isopropyl acetate 56.0
    DMAc 1215.47
    2-ethoxyethanol 285.49
    isopentanol 149.16
    n-heptane 3.44
    ethyl formate 183.38
    1,2-dichloroethane 111.4
    n-hexanol 65.79
    2-methoxyethanol 807.5
    isobutyl acetate 20.69
    tetrachloromethane 59.13
    n-pentyl acetate 35.62
    transcutol 225.99
    n-heptanol 39.98
    ethylbenzene 8.51
    MIBK 45.18
    2-propoxyethanol 176.35
    tert-butanol 199.74
    MTBE 76.09
    2-butoxyethanol 106.49
    propionic acid 376.77
    o-xylene 24.79
    formic acid 839.07
    diethyl ether 89.19
    m-xylene 21.55
    p-xylene 15.16
    chlorobenzene 59.6
    dimethyl carbonate 121.99
    n-octane 1.5
    formamide 915.23
    cyclopentanone 305.85
    2-pentanone 124.88
    anisole 46.02
    cyclopentyl methyl ether 117.98
    gamma-butyrolactone 362.33
    1-methoxy-2-propanol 424.37
    pyridine 225.43
    3-pentanone 96.51
    furfural 332.92
    n-dodecane 1.43
    diethylene glycol 186.68
    diisopropyl ether 12.86
    tert-amyl alcohol 147.93
    acetylacetone 108.73
    n-hexadecane 1.5
    acetophenone 48.04
    methyl propionate 224.97
    isopentyl acetate 24.41
    trichloroethylene 244.64
    n-nonanol 28.65
    cyclohexanol 108.65
    benzyl alcohol 87.0
    2-ethylhexanol 23.41
    isooctanol 27.12
    dipropyl ether 24.36
    1,2-dichlorobenzene 44.72
    ethyl lactate 40.89
    propylene carbonate 128.27
    n-methylformamide 978.78
    2-pentanol 112.75
    n-pentane 8.36
    1-propoxy-2-propanol 89.68
    1-methoxy-2-propyl acetate 52.08
    2-(2-methoxypropoxy) propanol 57.5
    mesitylene 9.43
    ε-caprolactone 131.85
    p-cymene 8.21
    epichlorohydrin 297.14
    1,1,1-trichloroethane 104.8
    2-aminoethanol 642.58
    morpholine-4-carbaldehyde 516.45
    sulfolane 322.02
    2,2,4-trimethylpentane 3.55
    2-methyltetrahydrofuran 193.51
    n-hexyl acetate 41.72
    isooctane 1.75
    2-(2-butoxyethoxy)ethanol 88.56
    sec-butyl acetate 20.59
    tert-butyl acetate 35.81
    decalin 2.13
    glycerin 523.57
    diglyme 158.53
    acrylic acid 362.93
    isopropyl myristate 11.89
    n-butyric acid 298.17
    acetyl acetate 60.15
    di(2-ethylhexyl) phthalate 21.05
    ethyl propionate 41.17
    nitromethane 716.44
    1,2-diethoxyethane 46.77
    benzonitrile 76.67
    trioctyl phosphate 14.08
    1-bromopropane 59.36
    gamma-valerolactone 391.39
    n-decanol 19.06
    triethyl phosphate 14.08
    4-methyl-2-pentanol 39.52
    propionitrile 173.28
    vinylene carbonate 132.32
    1,1,2-trichlorotrifluoroethane 345.83
    DMS 41.36
    cumene 7.16
    2-octanol 22.87
    2-hexanone 41.58
    octyl acetate 20.62
    limonene 12.51
    1,2-dimethoxyethane 212.73
    ethyl orthosilicate 13.65
    tributyl phosphate 15.49
    diacetone alcohol 89.57
    N,N-dimethylaniline 37.71
    acrylonitrile 254.09
    aniline 161.72
    1,3-propanediol 495.9
    bromobenzene 40.37
    dibromomethane 126.93
    1,1,2,2-tetrachloroethane 187.81
    2-methyl-cyclohexyl acetate 17.05
    tetrabutyl urea 26.64
    diisobutyl methanol 11.02
    2-phenylethanol 49.01
    styrene 14.31
    dioctyl adipate 18.79
    dimethyl sulfate 192.39
    ethyl butyrate 22.45
    methyl lactate 188.12
    butyl lactate 39.79
    diethyl carbonate 15.94
    propanediol butyl ether 98.13
    triethyl orthoformate 19.67
    p-tert-butyltoluene 8.04
    methyl 4-tert-butylbenzoate 45.62
    morpholine 372.16
    tert-butylamine 97.96
    n-dodecanol 13.01
    dimethoxymethane 382.2
    ethylene carbonate 106.95
    cyrene 71.84
    2-ethoxyethyl acetate 56.18
    2-ethylhexyl acetate 19.33
    1,2,4-trichlorobenzene 62.71
    4-methylpyridine 222.7
    dibutyl ether 18.61
    2,6-dimethyl-4-heptanol 11.02
    DEF 253.69
    dimethyl isosorbide 67.1
    tetrachloroethylene 148.23
    eugenol 53.19
    triacetin 42.25
    span 80 52.5
    1,4-butanediol 196.38
    1,1-dichloroethane 152.49
    2-methyl-1-pentanol 84.37
    methyl formate 514.97
    2-methyl-1-butanol 173.59
    n-decane 2.34
    butyronitrile 152.14
    3,7-dimethyl-1-octanol 22.94
    1-chlorooctane 9.92
    1-chlorotetradecane 3.96
    n-nonane 2.17
    undecane 1.74
    tert-butylcyclohexane 2.34
    cyclooctane 1.47
    cyclopentanol 215.59
    tetrahydropyran 137.99
    tert-amyl methyl ether 55.89
    2,5,8-trioxanonane 102.33
    1-hexene 17.8
    2-isopropoxyethanol 117.44
    2,2,2-trifluoroethanol 286.73
    methyl butyrate 58.29

    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