Imidazole

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  • Identifiers

    CAS number
    288-32-4

    Molecular formula
    C3H4N2

    SMILES
    C1=CN=CN1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Nutty 82.24%
    Sweet 64.82%
    Roasted 63.16%
    Musty 63.06%
    Burnt 55.33%
    Fishy 48.38%
    Coffee 42.4%
    Hazelnut 42.15%
    Meaty 40.73%
    Cocoa 37.48%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.1

    Molecular weight
    68.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 90.5 °C
    • 89.52 °C
    • 89 °C

    Boiling point

    • 257 °C
    • 268 °C

    Flash point est.
    99.1 ˚C

    Flash point expt.

    • 145 °C (293 °F) - closed cup
    • 145 °C c.c.

    Solubility expt.

    • Very soluble in water
    • In water, 241 g/100 g at 20 °C
    • In water, 2060 g/kg H2O at 19 °C
    • In water, 663 g/L at 20 °C
    • Very soluble in ethanol; soluble in diethyl ether, acetone, pyridine; slightly soluble in benzene
    • Solubility in water, g/100ml at 20 °C: 63.3 (good)

  • Synonyms

    • imidazole
    • 1H-Imidazole
    • 288-32-4
    • Glyoxaline
    • Imidazol
    • Iminazole
    • Miazole
    • 1,3-Diazole
    • Glyoxalin
    • Imutex
    • 1,3-Diaza-2,4-cyclopentadiene
    • Pyrro(b)monazole
    • USAF EK-4733
    • Glioksal
    • Formamidine, N,N'-vinylene-
    • Pyrro[b]monazole
    • Glioksal [Polish]
    • Methanimidamide, N,N'-1,2-ethenediyl-
    • CCRIS 3345
    • IMD
    • AI3-24703
    • NSC 60522
    • DTXSID2029616
    • N,N'-vinyleneformamidine
    • BRN 0103853
    • EINECS 206-019-2
    • UNII-7GBN705NH1
    • NSC 51860
    • 7GBN705NH1
    • CHEBI:16069
    • N,N'-1,2-ethenediylmethanimidamide
    • MFCD00005183
    • NSC-60522
    • CHEMBL540
    • ENALAPRIL IMPURITY I
    • DTXCID809616
    • HSDB 8449
    • EC 206-019-2
    • 5-23-04-00191 (Beilstein Handbook Reference)
    • IMIDAZOLE (USP-RS)
    • IMIDAZOLE [USP-RS]
    • Him
    • 1H-imidazol
    • CAS-288-32-4
    • Imidazole (8CI)
    • NSC51860
    • CLOTRIMAZOLE IMPURITY D (EP IMPURITY)
    • CLOTRIMAZOLE IMPURITY D [EP IMPURITY]
    • Imidazole, puriss. p.a., >=99.5% (GC)
    • ENALAPRIL MALEATE IMPURITY I (EP IMPURITY)
    • ENALAPRIL MALEATE IMPURITY I [EP IMPURITY]
    • SILDENAFIL CITRATE IMPURITY E (EP IMPURITY)
    • SILDENAFIL CITRATE IMPURITY E [EP IMPURITY]
    • Immidazole
    • imidazole-
    • 1-H-imidazole
    • Glyoxaline solution
    • Imidazole, Reagent
    • {Pyrro[b]monazole}
    • 1,4-cyclopentadiene
    • Imidazole, ACS grade
    • 1,3-Dia-zole
    • 1H-Imidazole (9CI)
    • IMIDAZOLE [MI]
    • Imidazole buffer Solution
    • Formamidine,N'-vinylene-
    • bmse000096
    • bmse000790
    • WLN: T5M CNJ
    • IMIDAZOLE [WHO-DD]
    • NCIStruc1_001975
    • NCIStruc2_000693
    • Imidazole, LR, >=99%
    • MLS001055465
    • BDBM7882
    • CHEBI:14434
    • 1,3-Diaza-2,4-cyclopentadiene-
    • Imidazole, ReagentPlus(R), 99%
    • Imidazole, for synthesis, 99.5%
    • BCP26547
    • GAA74543
    • HY-D0837
    • NSC60522
    • ZCA35070
    • ZCA36246
    • Methanimidamide,N'-1,2-ethenediyl-
    • Tox21_201504
    • Tox21_303345
    • s6006
    • STK362967
    • AKOS000120177
    • CS-5135
    • DB03366
    • FI34308
    • Imidazole, BioUltra, >=99.5% (GC)
    • NCGC00090984-01
    • NCGC00090984-02
    • NCGC00257344-01
    • NCGC00259055-01
    • BP-11451
    • SMR000057825
    • Imidazole, SAJ special grade, >=99.0%
    • Imidazole, Vetec(TM) reagent grade, 98%
    • DB-002018
    • FLUTRIMAZOLE IMPURITY A [EP IMPURITY]
    • I0001
    • I0014
    • I0288
    • I0290
    • Imidazole, >=99% (titration), crystalline
    • NS00001351
    • EN300-19083
    • Imidazole Zone Refined (number of passes:30)
    • Imidazole, ACS reagent, >=99% (titration)
    • A15456
    • C01589
    • P17516
    • Q328692
    • Imidazole, for molecular biology, >=99% (titration)
    • F2190-0638
    • Z104472692
    • Imidazole, BioUltra, for molecular biology, >=99.5% (GC)
    • Imidazole, European Pharmacopoeia (EP) Reference Standard
    • 4286D518-643C-4C69-BCE7-519D073F4992
    • Imidazole, United States Pharmacopeia (USP) Reference Standard
    • InChI=1/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5
    • Imidazole;1,3-diazole; glyoxaline; 1,3-diazacyclopenta-2,4-diene
    • ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY E [EP IMPURITY]

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 438.34
    methanol 701.3
    isopropanol 249.85
    water 380.92
    ethyl acetate 50.04
    n-propanol 276.02
    acetone 234.37
    n-butanol 133.99
    acetonitrile 163.1
    DMF 1399.08
    toluene 9.62
    isobutanol 159.32
    1,4-dioxane 118.71
    methyl acetate 147.52
    THF 179.47
    2-butanone 139.73
    n-pentanol 90.49
    sec-butanol 146.08
    n-hexane 1.8
    ethylene glycol 591.55
    NMP 622.08
    cyclohexane 2.41
    DMSO 758.17
    n-butyl acetate 31.12
    n-octanol 21.73
    chloroform 46.58
    n-propyl acetate 35.21
    acetic acid 647.97
    dichloromethane 41.51
    cyclohexanone 80.35
    propylene glycol 510.56
    isopropyl acetate 21.08
    DMAc 933.03
    2-ethoxyethanol 246.29
    isopentanol 66.52
    n-heptane 3.47
    ethyl formate 51.53
    1,2-dichloroethane 27.56
    n-hexanol 60.94
    2-methoxyethanol 491.57
    isobutyl acetate 20.82
    tetrachloromethane 13.06
    n-pentyl acetate 19.64
    transcutol 210.93
    n-heptanol 30.53
    ethylbenzene 3.55
    MIBK 21.3
    2-propoxyethanol 182.62
    tert-butanol 150.71
    MTBE 40.38
    2-butoxyethanol 92.26
    propionic acid 312.95
    o-xylene 9.27
    formic acid 784.72
    diethyl ether 36.0
    m-xylene 7.76
    p-xylene 6.78
    chlorobenzene 13.93
    dimethyl carbonate 78.4
    n-octane 0.95
    formamide 647.44
    cyclopentanone 163.7
    2-pentanone 52.27
    anisole 24.04
    cyclopentyl methyl ether 54.48
    gamma-butyrolactone 177.61
    1-methoxy-2-propanol 281.66
    pyridine 109.26
    3-pentanone 52.48
    furfural 163.99
    n-dodecane 0.85
    diethylene glycol 247.61
    diisopropyl ether 6.69
    tert-amyl alcohol 99.76
    acetylacetone 47.77
    n-hexadecane 0.89
    acetophenone 32.08
    methyl propionate 104.37
    isopentyl acetate 21.01
    trichloroethylene 64.04
    n-nonanol 19.1
    cyclohexanol 64.2
    benzyl alcohol 52.87
    2-ethylhexanol 22.26
    isooctanol 19.54
    dipropyl ether 24.98
    1,2-dichlorobenzene 12.0
    ethyl lactate 46.95
    propylene carbonate 58.4
    n-methylformamide 580.84
    2-pentanol 55.23
    n-pentane 3.06
    1-propoxy-2-propanol 111.09
    1-methoxy-2-propyl acetate 47.24
    2-(2-methoxypropoxy) propanol 68.43
    mesitylene 4.28
    ε-caprolactone 68.59
    p-cymene 5.8
    epichlorohydrin 124.79
    1,1,1-trichloroethane 25.2
    2-aminoethanol 657.02
    morpholine-4-carbaldehyde 405.55
    sulfolane 227.26
    2,2,4-trimethylpentane 1.9
    2-methyltetrahydrofuran 91.45
    n-hexyl acetate 23.41
    isooctane 1.03
    2-(2-butoxyethoxy)ethanol 91.47
    sec-butyl acetate 16.02
    tert-butyl acetate 18.5
    decalin 1.18
    glycerin 634.07
    diglyme 144.9
    acrylic acid 390.7
    isopropyl myristate 7.99
    n-butyric acid 134.95
    acetyl acetate 25.96
    di(2-ethylhexyl) phthalate 18.7
    ethyl propionate 28.55
    nitromethane 527.1
    1,2-diethoxyethane 31.41
    benzonitrile 33.65
    trioctyl phosphate 11.61
    1-bromopropane 14.03
    gamma-valerolactone 205.02
    n-decanol 14.16
    triethyl phosphate 13.44
    4-methyl-2-pentanol 20.49
    propionitrile 95.75
    vinylene carbonate 57.79
    1,1,2-trichlorotrifluoroethane 270.86
    DMS 34.61
    cumene 3.53
    2-octanol 13.79
    2-hexanone 34.53
    octyl acetate 15.7
    limonene 9.59
    1,2-dimethoxyethane 151.31
    ethyl orthosilicate 12.48
    tributyl phosphate 12.59
    diacetone alcohol 57.51
    N,N-dimethylaniline 25.29
    acrylonitrile 162.71
    aniline 62.42
    1,3-propanediol 325.78
    bromobenzene 8.43
    dibromomethane 20.26
    1,1,2,2-tetrachloroethane 54.04
    2-methyl-cyclohexyl acetate 17.65
    tetrabutyl urea 23.99
    diisobutyl methanol 9.48
    2-phenylethanol 38.21
    styrene 5.63
    dioctyl adipate 16.86
    dimethyl sulfate 144.63
    ethyl butyrate 21.62
    methyl lactate 135.22
    butyl lactate 34.34
    diethyl carbonate 15.72
    propanediol butyl ether 106.21
    triethyl orthoformate 17.97
    p-tert-butyltoluene 5.6
    methyl 4-tert-butylbenzoate 32.41
    morpholine 245.04
    tert-butylamine 62.59
    n-dodecanol 10.6
    dimethoxymethane 209.36
    ethylene carbonate 43.25
    cyrene 80.02
    2-ethoxyethyl acetate 34.65
    2-ethylhexyl acetate 16.12
    1,2,4-trichlorobenzene 22.34
    4-methylpyridine 69.3
    dibutyl ether 9.56
    2,6-dimethyl-4-heptanol 9.48
    DEF 142.72
    dimethyl isosorbide 60.4
    tetrachloroethylene 43.28
    eugenol 49.02
    triacetin 39.39
    span 80 67.81
    1,4-butanediol 208.62
    1,1-dichloroethane 29.98
    2-methyl-1-pentanol 44.26
    methyl formate 259.39
    2-methyl-1-butanol 88.61
    n-decane 1.26
    butyronitrile 55.16
    3,7-dimethyl-1-octanol 15.86
    1-chlorooctane 4.64
    1-chlorotetradecane 2.22
    n-nonane 1.15
    undecane 0.99
    tert-butylcyclohexane 1.31
    cyclooctane 0.83
    cyclopentanol 141.51
    tetrahydropyran 65.4
    tert-amyl methyl ether 31.31
    2,5,8-trioxanonane 105.7
    1-hexene 6.56
    2-isopropoxyethanol 118.2
    2,2,2-trifluoroethanol 279.38
    methyl butyrate 39.52

    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