Acetylcholine Bromide

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  • Identifiers

    CAS number
    66-23-9

    Molecular formula
    C7H16BrNO2

    SMILES
    CC(=O)OCC[N+](C)(C)C.[Br-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.0%
    Sweet 54.42%
    Ethereal 53.6%
    Banana 44.02%
    Apple 40.7%
    Green 39.06%
    Fresh 38.46%
    Fermented 34.78%
    Pear 32.61%
    Tropical 32.56%

     

    Flavor
    Fruity 52.85%
    Sweet 42.25%
    Tropical 38.14%
    Bitter 34.64%
    Green 34.02%
    Citrus 30.47%
    Herbal 30.39%
    Woody 27.1%
    Fruit 26.31%
    Floral 25.96%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.27 (neutral)

    Molecular weight
    226.11 g/mol

    Flash point

    • -77.06 ˚C est.

  • Synonyms

    • Acetylcholine bromide
    • 66-23-9
    • Pragmoline
    • 2-acetoxy-N,N,N-trimethylethanaminium bromide
    • Tonocholin B
    • Acetylcholine hydrobromide
    • Acetylcholine bromhydrate
    • Trimethyl(2-acetoxyethyl)ammonium bromide
    • Acetoxyethyl-trimethylammonium bromide
    • N,N,N-Trimethyl-2-acetoxyethylammonium bromide
    • C12HG588IF
    • NSC-4678
    • CHEBI:55316
    • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide (1:1)
    • DTXSID60883215
    • Bromide, Acetylcholine
    • RefChem:109123
    • DTXCID401022764
    • 200-622-4
    • Bromoacetylcholine
    • (2-Acetoxyethyl)trimethylammonium bromide
    • MFCD00011814
    • Choline acetate (ester), bromide
    • [2-(acetyloxy)ethyl]trimethylazanium bromide
    • Acetylcholine (bromide)
    • MLS000069523
    • 2-acetoxyethyltrimethylammonium bromide
    • SMR000058593
    • 2-acetyloxyethyl(trimethyl)azanium;bromide
    • (2-hydroxyethyltrimethyl)ammonium bromide acetate
    • Choline, acetyl-, bromide
    • 2-acetoxyethyl(trimethyl)ammonium;bromide
    • NSC 4678
    • EINECS 200-622-4
    • C7H16BrNO2
    • UNII-C12HG588IF
    • AI3-10598
    • 2-(Acetyloxy)-N,N,N-trimethylethanaminium bromide
    • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide
    • Opera_ID_1216
    • MLS001148385
    • SCHEMBL317763
    • REGID_for_CID_65551
    • orb1306686
    • CHEMBL1427664
    • HY-B0282A
    • 2-(Acetyloxy)-N,N,N-trimethylethanaminium bromide (1:1)
    • NSC4678
    • ZEHGKSPCAMLJDC-UHFFFAOYSA-M
    • ACETYLCHOLINE BROMIDE [MI]
    • HMS2230N08
    • HMS3371L05
    • TDA44932
    • EBC-03392
    • AKOS015913449
    • 2-(trimethylamino)ethyl acetate, bromide
    • AS-66580
    • SY109312
    • DB-338049
    • A0083
    • CS-0143594
    • N,N-Trimethyl-2-acetoxyethylammonium bromide
    • NS00078951
    • ST51037140
    • EN300-50287
    • D88210
    • F235877
    • 2-ACETOXY-N,N,N-TRIMETHYLETHANAMINIUMBROMIDE
    • 2-(Acetyloxy)-N,N,N-trimethylethan-1-aminium bromide
    • Q27124222
    • Z600425176
    • 66-23-9

  • Applications

    Acetylcholine Bromide is primarily a research chemical used in pharmacology and neuroscience laboratories as a prototype cholinergic neurotransmitter analogue; it is commonly employed in in vitro receptor binding and signaling assays to characterize muscarinic and nicotinic receptor responses, as a substrate for acetylcholinesterase activity assays, in educational labs to demonstrate cholinergic transmission, and as a tool in early-stage drug-discovery studies exploring cholinergic pathways.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 717.47
    methanol 1506.17
    isopropanol 234.08
    water 627.38
    ethyl acetate 55.9
    n-propanol 313.41
    acetone 64.37
    n-butanol 192.39
    acetonitrile 121.99
    DMF 279.61
    toluene 16.02
    isobutanol 133.89
    1,4-dioxane 272.1
    methyl acetate 90.86
    THF 229.41
    2-butanone 42.77
    n-pentanol 62.07
    sec-butanol 138.65
    n-hexane 4.91
    ethylene glycol 683.3
    NMP 350.94
    cyclohexane 17.18
    DMSO 112.53
    n-butyl acetate 36.42
    n-octanol 49.62
    chloroform 388.69
    n-propyl acetate 27.4
    acetic acid 1662.21
    dichloromethane 269.07
    cyclohexanone 115.57
    propylene glycol 532.39
    isopropyl acetate 19.92
    DMAc 228.16
    2-ethoxyethanol 186.72
    isopentanol 61.7
    n-heptane 7.76
    ethyl formate 143.65
    1,2-dichloroethane 81.63
    n-hexanol 90.07
    2-methoxyethanol 675.3
    isobutyl acetate 18.0
    tetrachloromethane 77.28
    n-pentyl acetate 27.06
    transcutol 298.69
    n-heptanol 56.62
    ethylbenzene 9.57
    MIBK 9.53
    2-propoxyethanol 225.76
    tert-butanol 136.62
    MTBE 25.47
    2-butoxyethanol 136.79
    propionic acid 501.17
    o-xylene 17.39
    formic acid 1985.21
    diethyl ether 33.51
    m-xylene 11.08
    p-xylene 17.02
    chlorobenzene 43.37
    dimethyl carbonate 39.22
    n-octane 2.98
    formamide 1098.98
    cyclopentanone 133.11
    2-pentanone 20.39
    anisole 32.8
    cyclopentyl methyl ether 58.43
    gamma-butyrolactone 269.36
    1-methoxy-2-propanol 224.42
    pyridine 157.06
    3-pentanone 21.04
    furfural 335.03
    n-dodecane 2.68
    diethylene glycol 290.65
    diisopropyl ether 4.88
    tert-amyl alcohol 99.45
    acetylacetone 32.23
    n-hexadecane 2.82
    acetophenone 37.57
    methyl propionate 65.28
    isopentyl acetate 28.71
    trichloroethylene 208.0
    n-nonanol 44.27
    cyclohexanol 157.57
    benzyl alcohol 63.1
    2-ethylhexanol 40.8
    isooctanol 34.33
    dipropyl ether 26.05
    1,2-dichlorobenzene 49.29
    ethyl lactate 55.38
    propylene carbonate 165.65
    n-methylformamide 417.5
    2-pentanol 50.97
    n-pentane 6.64
    1-propoxy-2-propanol 113.29
    1-methoxy-2-propyl acetate 49.54
    2-(2-methoxypropoxy) propanol 96.7
    mesitylene 7.21
    ε-caprolactone 161.94
    p-cymene 14.39
    epichlorohydrin 173.3
    1,1,1-trichloroethane 76.3
    2-aminoethanol 844.28
    morpholine-4-carbaldehyde 382.38
    sulfolane 199.67
    2,2,4-trimethylpentane 3.57
    2-methyltetrahydrofuran 113.21
    n-hexyl acetate 46.33
    isooctane 1.38
    2-(2-butoxyethoxy)ethanol 143.29
    sec-butyl acetate 13.94
    tert-butyl acetate 19.03
    decalin 5.07
    glycerin 712.63
    diglyme 199.21
    acrylic acid 582.26
    isopropyl myristate 16.37
    n-butyric acid 318.77
    acetyl acetate 54.33
    di(2-ethylhexyl) phthalate 38.38
    ethyl propionate 28.31
    nitromethane 581.95
    1,2-diethoxyethane 36.57
    benzonitrile 55.98
    trioctyl phosphate 24.76
    1-bromopropane 32.26
    gamma-valerolactone 308.81
    n-decanol 31.46
    triethyl phosphate 30.81
    4-methyl-2-pentanol 17.89
    propionitrile 82.51
    vinylene carbonate 194.79
    1,1,2-trichlorotrifluoroethane 451.77
    DMS 46.98
    cumene 9.67
    2-octanol 26.3
    2-hexanone 14.69
    octyl acetate 29.66
    limonene 20.68
    1,2-dimethoxyethane 146.12
    ethyl orthosilicate 29.26
    tributyl phosphate 29.03
    diacetone alcohol 47.9
    N,N-dimethylaniline 29.44
    acrylonitrile 134.24
    aniline 90.9
    1,3-propanediol 618.58
    bromobenzene 27.98
    dibromomethane 137.9
    1,1,2,2-tetrachloroethane 190.97
    2-methyl-cyclohexyl acetate 41.65
    tetrabutyl urea 35.53
    diisobutyl methanol 15.0
    2-phenylethanol 65.07
    styrene 12.1
    dioctyl adipate 37.5
    dimethyl sulfate 63.57
    ethyl butyrate 32.25
    methyl lactate 110.16
    butyl lactate 55.66
    diethyl carbonate 32.92
    propanediol butyl ether 143.07
    triethyl orthoformate 36.28
    p-tert-butyltoluene 14.84
    methyl 4-tert-butylbenzoate 58.7
    morpholine 401.06
    tert-butylamine 73.72
    n-dodecanol 22.75
    dimethoxymethane 104.93
    ethylene carbonate 140.33
    cyrene 106.59
    2-ethoxyethyl acetate 44.2
    2-ethylhexyl acetate 25.37
    1,2,4-trichlorobenzene 77.39
    4-methylpyridine 85.05
    dibutyl ether 19.34
    2,6-dimethyl-4-heptanol 15.0
    DEF 71.2
    dimethyl isosorbide 126.74
    tetrachloroethylene 195.57
    eugenol 84.72
    triacetin 67.7
    span 80 128.27
    1,4-butanediol 162.43
    1,1-dichloroethane 73.86
    2-methyl-1-pentanol 31.68
    methyl formate 265.5
    2-methyl-1-butanol 81.76
    n-decane 4.34
    butyronitrile 69.81
    3,7-dimethyl-1-octanol 31.08
    1-chlorooctane 14.31
    1-chlorotetradecane 6.82
    n-nonane 3.89
    undecane 3.25
    tert-butylcyclohexane 4.36
    cyclooctane 4.05
    cyclopentanol 218.11
    tetrahydropyran 129.58
    tert-amyl methyl ether 24.06
    2,5,8-trioxanonane 145.4
    1-hexene 11.78
    2-isopropoxyethanol 73.88
    2,2,2-trifluoroethanol 663.42
    methyl butyrate 41.83

    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