Oxotremorine

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  • Identifiers

    CAS number
    70-22-4

    Molecular formula
    C12H18N2O

    SMILES
    C1CCN(C1)CC#CCN2CCCC2=O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Fishy 44.62%
    Nutty 34.86%
    Popcorn 33.66%
    Roasted 33.49%
    Odorless 31.16%
    Animal 27.11%
    Meaty 27.02%
    Savory 22.04%
    Sweet 21.57%
    Cooked 19.74%

     

    Flavor
    Bitter 80.48%
    Odorless 24.71%
    Bland 22.93%
    Alkaline 19.46%
    Cedarleaf 19.37%
    Sweet-like 19.22%
    Nitrile 19.11%
    Cereal 18.85%
    Shrimp 18.27%
    Very strong 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.14 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 169.31 ˚C est.

  • Synonyms

    • Oxotremorine
    • Oxytremorine
    • 70-22-4
    • Oxotremorin
    • Tremorine, oxo-
    • 2'-Oxopyrrolidino-1-pyrrolidino-4-butyne
    • 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
    • MLS000766260
    • 5RY0UWH1JL
    • EINECS 200-728-0
    • NSC 330497
    • BRN 1530948
    • 2-PYRROLIDINONE, 1-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-
    • OXOTREMORINE [MI]
    • NSC-330497
    • CHEMBL7634
    • 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-
    • CHEBI:7851
    • DTXSID10220252
    • 5-21-06-00370 (Beilstein Handbook Reference)
    • 2-Pyrrolidinone,1-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-
    • 1-(2-OXOPYRROLIDINO)-4-PYRROLIDINO-2-BUTYNE
    • UNII-5RY0UWH1JL
    • Spectrum_001448
    • Spectrum_001875
    • Tocris-0843
    • Spectrum2_001568
    • Spectrum3_001599
    • Spectrum4_000912
    • Spectrum5_001099
    • Spectrum5_001686
    • Lopac-O-9126
    • oxotremorine-sesquifumarate
    • cid_4630
    • SCHEMBL2128
    • Lopac0_000914
    • BSPBio_003198
    • GTPL302
    • KBioGR_001404
    • KBioSS_001928
    • KBioSS_002398
    • DivK1c_000410
    • SPBio_001476
    • KBio1_000410
    • KBio2_001928
    • KBio2_002393
    • KBio2_004496
    • KBio2_004961
    • KBio2_007064
    • KBio2_007529
    • KBio3_002698
    • DTXCID10142743
    • NINDS_000410
    • HMS2089F17
    • HMS2231C13
    • HMS3372G17
    • BDBM50004665
    • NSC330497
    • WLN: T5NVTJ A2UU2- AT5NTJ
    • CCG-204996
    • SDCCGSBI-0050889.P003
    • IDI1_000410
    • NCGC00015773-01
    • NCGC00015773-02
    • NCGC00015773-03
    • NCGC00015773-04
    • NCGC00015773-05
    • NCGC00015773-10
    • NCGC00024821-01
    • NCGC00024821-02
    • NCGC00024821-03
    • SMR000528860
    • DB-055393
    • HY-170032
    • NS00037024
    • 1-(4-pyrrolidino-2-butynyl)-2-pyrrolidinone
    • C07485
    • AB00053670-07
    • L001302
    • Q676896
    • SR-01000075154-3
    • 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
    • BRD-K21936341-051-02-4
    • BRD-K21936341-051-03-2
    • 1-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-pyrrolidinium
    • Oxotremorine1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
    • (oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
    • 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one(Oxotremorine)
    • 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one (oxotremorphine)
    • 200-728-0

  • Applications

    Oxotremorine (CAS 70-22-4) is primarily employed as a pharmacological tool in neuroscience and pharmacology research to activate muscarinic acetylcholine receptors. In practice, it serves as a reagent for in vitro receptor binding and functional assays, as well as in vivo models to study parasympathetic physiology, including salivary secretion and gastrointestinal motility. It is frequently used to characterize muscarinic agonists, evaluate receptor selectivity, and probe cholinergic signaling pathways in laboratory settings. Its use is typically confined to research contexts, and handling is subject to local regulations and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 330.43
    methanol 798.57
    isopropanol 145.88
    water 28.4
    ethyl acetate 196.02
    n-propanol 175.53
    acetone 306.56
    n-butanol 141.67
    acetonitrile 329.38
    DMF 523.9
    toluene 39.95
    isobutanol 119.08
    1,4-dioxane 188.06
    methyl acetate 226.62
    THF 211.91
    2-butanone 195.17
    n-pentanol 99.57
    sec-butanol 103.72
    n-hexane 2.11
    ethylene glycol 257.01
    NMP 280.75
    cyclohexane 3.95
    DMSO 707.24
    n-butyl acetate 79.28
    n-octanol 33.54
    chloroform 1298.2
    n-propyl acetate 121.5
    acetic acid 906.18
    dichloromethane 1190.82
    cyclohexanone 201.56
    propylene glycol 242.83
    isopropyl acetate 95.91
    DMAc 426.88
    2-ethoxyethanol 308.39
    isopentanol 115.3
    n-heptane 1.86
    ethyl formate 275.02
    1,2-dichloroethane 390.91
    n-hexanol 54.44
    2-methoxyethanol 545.69
    isobutyl acetate 75.69
    tetrachloromethane 81.86
    n-pentyl acetate 52.8
    transcutol 664.84
    n-heptanol 35.14
    ethylbenzene 26.61
    MIBK 77.84
    2-propoxyethanol 176.84
    tert-butanol 114.92
    MTBE 41.54
    2-butoxyethanol 123.68
    propionic acid 328.74
    o-xylene 31.49
    formic acid 982.7
    diethyl ether 47.93
    m-xylene 35.0
    p-xylene 41.39
    chlorobenzene 130.74
    dimethyl carbonate 102.89
    n-octane 1.28
    formamide 1066.87
    cyclopentanone 286.6
    2-pentanone 126.77
    anisole 85.34
    cyclopentyl methyl ether 69.35
    gamma-butyrolactone 431.96
    1-methoxy-2-propanol 309.81
    pyridine 264.26
    3-pentanone 86.04
    furfural 606.02
    n-dodecane 1.69
    diethylene glycol 255.02
    diisopropyl ether 13.06
    tert-amyl alcohol 90.06
    acetylacetone 225.25
    n-hexadecane 1.84
    acetophenone 129.95
    methyl propionate 159.18
    isopentyl acetate 73.51
    trichloroethylene 1076.66
    n-nonanol 31.62
    cyclohexanol 75.32
    benzyl alcohol 138.7
    2-ethylhexanol 31.98
    isooctanol 33.14
    dipropyl ether 22.36
    1,2-dichlorobenzene 148.44
    ethyl lactate 120.68
    propylene carbonate 280.35
    n-methylformamide 540.95
    2-pentanol 61.27
    n-pentane 2.4
    1-propoxy-2-propanol 111.97
    1-methoxy-2-propyl acetate 116.3
    2-(2-methoxypropoxy) propanol 141.15
    mesitylene 20.54
    ε-caprolactone 203.08
    p-cymene 18.23
    epichlorohydrin 473.66
    1,1,1-trichloroethane 253.59
    2-aminoethanol 324.87
    morpholine-4-carbaldehyde 316.64
    sulfolane 409.83
    2,2,4-trimethylpentane 2.55
    2-methyltetrahydrofuran 121.46
    n-hexyl acetate 72.34
    isooctane 1.88
    2-(2-butoxyethoxy)ethanol 181.7
    sec-butyl acetate 67.93
    tert-butyl acetate 76.19
    decalin 3.74
    glycerin 391.47
    diglyme 315.2
    acrylic acid 427.46
    isopropyl myristate 25.99
    n-butyric acid 377.04
    acetyl acetate 184.59
    di(2-ethylhexyl) phthalate 50.53
    ethyl propionate 91.6
    nitromethane 1119.8
    1,2-diethoxyethane 85.68
    benzonitrile 174.8
    trioctyl phosphate 28.61
    1-bromopropane 106.24
    gamma-valerolactone 425.66
    n-decanol 23.56
    triethyl phosphate 47.6
    4-methyl-2-pentanol 44.11
    propionitrile 176.53
    vinylene carbonate 328.64
    1,1,2-trichlorotrifluoroethane 639.97
    DMS 98.88
    cumene 21.65
    2-octanol 20.98
    2-hexanone 89.83
    octyl acetate 37.61
    limonene 20.63
    1,2-dimethoxyethane 259.51
    ethyl orthosilicate 39.51
    tributyl phosphate 40.34
    diacetone alcohol 137.27
    N,N-dimethylaniline 58.65
    acrylonitrile 349.33
    aniline 112.49
    1,3-propanediol 312.74
    bromobenzene 121.78
    dibromomethane 507.29
    1,1,2,2-tetrachloroethane 655.99
    2-methyl-cyclohexyl acetate 62.28
    tetrabutyl urea 48.75
    diisobutyl methanol 19.68
    2-phenylethanol 88.88
    styrene 37.13
    dioctyl adipate 57.25
    dimethyl sulfate 174.71
    ethyl butyrate 69.45
    methyl lactate 185.15
    butyl lactate 87.87
    diethyl carbonate 63.92
    propanediol butyl ether 150.93
    triethyl orthoformate 51.08
    p-tert-butyltoluene 15.01
    methyl 4-tert-butylbenzoate 93.83
    morpholine 235.79
    tert-butylamine 46.84
    n-dodecanol 17.73
    dimethoxymethane 181.78
    ethylene carbonate 228.07
    cyrene 154.71
    2-ethoxyethyl acetate 109.41
    2-ethylhexyl acetate 51.5
    1,2,4-trichlorobenzene 179.3
    4-methylpyridine 189.25
    dibutyl ether 25.37
    2,6-dimethyl-4-heptanol 19.68
    DEF 169.68
    dimethyl isosorbide 174.83
    tetrachloroethylene 403.17
    eugenol 121.91
    triacetin 140.64
    span 80 100.12
    1,4-butanediol 153.22
    1,1-dichloroethane 345.66
    2-methyl-1-pentanol 89.88
    methyl formate 401.7
    2-methyl-1-butanol 103.91
    n-decane 2.34
    butyronitrile 155.48
    3,7-dimethyl-1-octanol 38.32
    1-chlorooctane 14.5
    1-chlorotetradecane 6.26
    n-nonane 1.93
    undecane 1.93
    tert-butylcyclohexane 3.3
    cyclooctane 1.68
    cyclopentanol 103.8
    tetrahydropyran 90.47
    tert-amyl methyl ether 34.96
    2,5,8-trioxanonane 227.79
    1-hexene 13.15
    2-isopropoxyethanol 163.96
    2,2,2-trifluoroethanol 440.75
    methyl butyrate 151.55

    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