Methacholine Chloride

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  • Identifiers

    CAS number
    62-51-1

    Molecular formula
    C8H18ClNO2

    SMILES
    CC(C[N+](C)(C)C)OC(=O)C.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 80.97%
    Green 41.06%
    Ethereal 37.78%
    Fresh 36.13%
    Herbal 33.42%
    Sweet 32.52%
    Mint 31.99%
    Fermented 30.01%
    Tropical 28.91%
    Apple 28.62%

     

    Flavor
    Fruity 36.4%
    Tropical 34.01%
    Green 30.64%
    Sweet 25.27%
    Herbal 25.1%
    Mild 23.53%
    Citrus 22.88%
    Woody 21.59%
    Box tree 21.57%
    Yeasty 21.32%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.16 (neutral)

    Molecular weight
    195.69 g/mol

    Flash point

    • -77.12 ˚C est.

    Solubility expt.

    • >29.4 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • Methacholine chloride
    • 62-51-1
    • Provocholine
    • Amechol
    • Cloruro de metacolina
    • Chlorure de methacholine
    • Metacolina cloruro
    • 1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
    • Methacholini chloridum
    • 0W5ETF9M2K
    • Mecholine
    • Acetyl-2-methylcholine Chloride
    • NSC-757090
    • DTXSID7023271
    • DTXCID203271
    • CHEBI:50142
    • 2-acetyloxy-N,N,N-trimethylpropan-1-aminium chloride
    • 2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminium Chloride
    • Acetyl-beta-methacholine Chloride
    • Chloride, Methacholine
    • RefChem:56536
    • Acetyl beta methylcholine
    • Acetyl 2 methylcholine Chloride
    • Provocholine Inhalation Solution
    • Acetyl beta methacholine Chloride
    • Methacholine Chloride Inhalation Solution
    • Ammonium,(2-hydroxypropyl)trimethyl-, Chloride, Acetate
    • 200-537-2
    • Acetyl-beta-methylcholine chloride
    • Mecholyl chloride
    • Methacholine (chloride)
    • (2-Acetoxypropyl)trimethylammonium chloride
    • Methacholine Chloride, Crystal, USP
    • 2-acetyloxypropyl(trimethyl)azanium;chloride
    • Acetyl-|A-methylcholine chloride
    • O-Acetyl-beta-methylcholine chloride
    • MFCD00011817
    • MLS000069656
    • SMR000059224
    • Mecholine chloride
    • Methacholinium chloride
    • Mecholyl
    • Provokit
    • Metacolina cloruro [DCIT]
    • beta-Methylacetylcholine chloride
    • Cloruro de metacolina [Spanish]
    • Chlorure de methacholine [French]
    • SR-01000000215
    • Methacholini chloridum [INN-Latin]
    • EINECS 200-537-2
    • 2-acetoxypropyl(trimethyl)ammonium;chloride
    • Cloruro de metacolina [INN-Spanish]
    • DL-Acetyl-beta-methylcholine chloride
    • UNII-0W5ETF9M2K
    • 2-(acetyloxy)-N,N,N-trimethylpropan-1-aminium chloride
    • Chlorure de methacholine [INN-French]
    • (+-)-Acetyl-beta-methylcholine chloride
    • AI3-51680
    • Trimethyl-beta-acetoxypropylammonium chloride
    • Prestwick_981
    • Provocholine (TN)
    • (2-Hydroxypropyl)trimethylammonium chloride acetate
    • Methacholine chloride [USP:INN:BAN]
    • Methacholine Chloride?
    • CAS-62-51-1
    • Opera_ID_1285
    • NCGC00016282-01
    • REGID_for_CID_6114
    • SCHEMBL69104
    • acetyl--methylcholine chloride
    • MLS001148375
    • SPECTRUM1500391
    • Acetyl-?-methylcholine chloride
    • orb1307764
    • (+-)-(2-Hydroxypropyl)trimethylammonium chloride acetate
    • CHEMBL1200764
    • HY-A0083R
    • (+/-)-(2-Hydroxypropyl)trimethylammonium chloride acetate
    • Acetyl-ss--methylcholine chloride
    • Acetylcholine Chloride Impurity 5
    • JHPHVAVFUYTVCL-UHFFFAOYSA-M
    • HMS1570G20
    • HMS1920L11
    • HMS2091D06
    • HMS2097G20
    • HMS2232B07
    • HMS3260E11
    • HMS3371L18
    • HMS3714G20
    • HMS3885A21
    • HMS5081N18
    • METHACHOLINE CHLORIDE [MI]
    • Pharmakon1600-01500391
    • METHACHOLINE CHLORIDE [INN]
    • METHACHOLINE CHLORIDE [JAN]
    • AMMONIUM, (2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDE, ACETATE
    • HY-A0083
    • Methacholine (chloride) (Standard)
    • Acetyl- beta -methylcholine chloride
    • Tox21_110348
    • Tox21_500025
    • 1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride, (+-)-
    • CCG-39988
    • EBC-26176
    • METHACHOLINE CHLORIDE [VANDF]
    • NSC757090
    • METHACHOLINE CHLORIDE [MART.]
    • AKOS015892295
    • Methacholine chloride (JAN/USP/INN)
    • METHACHOLINE CHLORIDE [USP-RS]
    • METHACHOLINE CHLORIDE [WHO-DD]
    • Tox21_110348_1
    • FS-4023
    • LP00025
    • NSC 757090
    • NCGC00015045-09
    • NCGC00093548-01
    • NCGC00093548-02
    • NCGC00093548-03
    • NCGC00093548-04
    • NCGC00093548-05
    • NCGC00260710-01
    • SY102018
    • METHACHOLINE CHLORIDE [ORANGE BOOK]
    • DB-054187
    • EU-0100025
    • M0073
    • 62-51-1

  • Applications

    Methacholine Chloride (CAS 62-51-1) is primarily used in pharmaceutical and research settings as a muscarinic receptor agonist for diagnostic bronchial challenge tests and pharmacology studies; it also serves as a chemical reagent and synthetic intermediate for related choline esters and cholinergic compounds, and may be employed as a reference standard or calibration material in analytical assays. Handling is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1524.6
    methanol 3540.8
    isopropanol 551.46
    water 542.93
    ethyl acetate 217.58
    n-propanol 782.13
    acetone 231.86
    n-butanol 497.9
    acetonitrile 367.59
    DMF 474.59
    toluene 80.12
    isobutanol 359.7
    1,4-dioxane 728.47
    methyl acetate 315.02
    THF 622.09
    2-butanone 160.29
    n-pentanol 195.87
    sec-butanol 405.96
    n-hexane 27.5
    ethylene glycol 1010.16
    NMP 746.77
    cyclohexane 72.13
    DMSO 204.7
    n-butyl acetate 150.53
    n-octanol 144.0
    chloroform 1084.98
    n-propyl acetate 107.41
    acetic acid 3481.12
    dichloromethane 736.9
    cyclohexanone 355.27
    propylene glycol 853.08
    isopropyl acetate 85.86
    DMAc 446.42
    2-ethoxyethanol 376.6
    isopentanol 192.6
    n-heptane 29.39
    ethyl formate 409.61
    1,2-dichloroethane 246.42
    n-hexanol 331.65
    2-methoxyethanol 1245.73
    isobutyl acetate 71.3
    tetrachloromethane 214.91
    n-pentyl acetate 98.18
    transcutol 585.76
    n-heptanol 144.29
    ethylbenzene 40.47
    MIBK 41.51
    2-propoxyethanol 539.74
    tert-butanol 336.17
    MTBE 116.69
    2-butoxyethanol 269.32
    propionic acid 1050.92
    o-xylene 67.5
    formic acid 3143.47
    diethyl ether 164.33
    m-xylene 52.45
    p-xylene 65.32
    chlorobenzene 155.77
    dimethyl carbonate 98.82
    n-octane 9.84
    formamide 1297.84
    cyclopentanone 319.84
    2-pentanone 87.84
    anisole 102.43
    cyclopentyl methyl ether 218.93
    gamma-butyrolactone 620.61
    1-methoxy-2-propanol 423.46
    pyridine 408.95
    3-pentanone 85.77
    furfural 684.86
    n-dodecane 8.31
    diethylene glycol 573.61
    diisopropyl ether 24.0
    tert-amyl alcohol 290.01
    acetylacetone 109.28
    n-hexadecane 8.79
    acetophenone 107.71
    methyl propionate 191.9
    isopentyl acetate 114.02
    trichloroethylene 580.18
    n-nonanol 119.33
    cyclohexanol 461.39
    benzyl alcohol 162.86
    2-ethylhexanol 142.54
    isooctanol 88.85
    dipropyl ether 98.7
    1,2-dichlorobenzene 149.0
    ethyl lactate 113.14
    propylene carbonate 412.21
    n-methylformamide 729.56
    2-pentanol 174.88
    n-pentane 34.22
    1-propoxy-2-propanol 269.95
    1-methoxy-2-propyl acetate 160.8
    2-(2-methoxypropoxy) propanol 193.22
    mesitylene 29.6
    ε-caprolactone 456.75
    p-cymene 52.63
    epichlorohydrin 415.73
    1,1,1-trichloroethane 256.48
    2-aminoethanol 1277.66
    morpholine-4-carbaldehyde 709.41
    sulfolane 417.39
    2,2,4-trimethylpentane 17.18
    2-methyltetrahydrofuran 421.15
    n-hexyl acetate 163.84
    isooctane 6.63
    2-(2-butoxyethoxy)ethanol 258.47
    sec-butyl acetate 60.72
    tert-butyl acetate 74.05
    decalin 20.09
    glycerin 1003.63
    diglyme 397.59
    acrylic acid 1093.77
    isopropyl myristate 52.33
    n-butyric acid 781.37
    acetyl acetate 198.15
    di(2-ethylhexyl) phthalate 99.4
    ethyl propionate 98.36
    nitromethane 1203.59
    1,2-diethoxyethane 119.65
    benzonitrile 165.54
    trioctyl phosphate 66.68
    1-bromopropane 141.11
    gamma-valerolactone 654.96
    n-decanol 80.26
    triethyl phosphate 81.35
    4-methyl-2-pentanol 58.98
    propionitrile 223.98
    vinylene carbonate 469.55
    1,1,2-trichlorotrifluoroethane 827.79
    DMS 146.31
    cumene 34.84
    2-octanol 83.3
    2-hexanone 70.08
    octyl acetate 90.81
    limonene 79.66
    1,2-dimethoxyethane 368.81
    ethyl orthosilicate 83.65
    tributyl phosphate 78.03
    diacetone alcohol 121.86
    N,N-dimethylaniline 76.34
    acrylonitrile 311.44
    aniline 226.06
    1,3-propanediol 1009.83
    bromobenzene 110.41
    dibromomethane 445.04
    1,1,2,2-tetrachloroethane 477.47
    2-methyl-cyclohexyl acetate 126.81
    tetrabutyl urea 89.99
    diisobutyl methanol 49.13
    2-phenylethanol 187.34
    styrene 47.62
    dioctyl adipate 104.27
    dimethyl sulfate 127.94
    ethyl butyrate 110.07
    methyl lactate 193.0
    butyl lactate 131.77
    diethyl carbonate 100.98
    propanediol butyl ether 258.62
    triethyl orthoformate 109.43
    p-tert-butyltoluene 50.81
    methyl 4-tert-butylbenzoate 139.2
    morpholine 931.27
    tert-butylamine 201.51
    n-dodecanol 58.18
    dimethoxymethane 245.54
    ethylene carbonate 358.87
    cyrene 206.15
    2-ethoxyethyl acetate 139.67
    2-ethylhexyl acetate 103.37
    1,2,4-trichlorobenzene 211.88
    4-methylpyridine 285.79
    dibutyl ether 65.66
    2,6-dimethyl-4-heptanol 49.13
    DEF 195.92
    dimethyl isosorbide 276.3
    tetrachloroethylene 454.82
    eugenol 169.26
    triacetin 186.87
    span 80 243.93
    1,4-butanediol 298.96
    1,1-dichloroethane 261.25
    2-methyl-1-pentanol 119.3
    methyl formate 576.83
    2-methyl-1-butanol 257.83
    n-decane 14.46
    butyronitrile 225.29
    3,7-dimethyl-1-octanol 94.77
    1-chlorooctane 51.88
    1-chlorotetradecane 21.16
    n-nonane 14.11
    undecane 10.44
    tert-butylcyclohexane 18.09
    cyclooctane 18.37
    cyclopentanol 512.07
    tetrahydropyran 458.74
    tert-amyl methyl ether 105.62
    2,5,8-trioxanonane 268.59
    1-hexene 61.36
    2-isopropoxyethanol 175.4
    2,2,2-trifluoroethanol 1149.74
    methyl butyrate 139.49

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 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