alpha-Nicotine

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  • Identifiers

    CAS number
    23950-04-1

    Molecular formula
    C10H14N2

    SMILES
    CN1CCCC1C2=CC=CC=N2

    Safety labels

  • Odor profile

    Fragrance
    Nutty 55.42%
    Roasted 54.47%
    Fishy 46.73%
    Popcorn 40.48%
    Earthy 36.93%
    Animal 36.9%
    Burnt 32.74%
    Meaty 32.62%
    Musty 32.0%
    Cheesy 31.23%

     

    Flavor
    Bitter 62.55%
    Roasted 36.42%
    Earthy 25.21%
    Cereal 23.48%
    Animal 23.35%
    Alkaline 22.69%
    Very strong 21.74%
    Shrimp 21.63%
    Cedarleaf 21.52%
    Indole 21.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.11 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    253°C

    Flash point

    • 89.64 ˚C est.

  • Synonyms

    • 23950-04-1
    • alpha-Nicotine
    • RefChem:1076548
    • o-Nicotine
    • 2-(1-methylpyrrolidin-2-yl)pyridine
    • Pyridine, 2-(1-methyl-2-pyrrolidinyl)-
    • .alpha.-Nicotine
    • alpha-Pyridyl-alpha-methylpyrrolidine
    • 2-Nicotine
    • pyridyl-methylpyrrolidine
    • 2-pyridinyl methylpyrollidine
    • 2-pyridinyl methylpyrrolidine
    • SCHEMBL3182932
    • SCHEMBL29352077
    • DTXSID00946772
    • CHEBI:193564
    • MFCD01691589
    • AKOS006277356
    • 2-(1-methyl-2-pyrrolidinyl)-pyridine
    • 2-(1-Methyl-2-pyrrolidinyl)pyridine #
    • .alpha.-Pyridyl-.alpha.-methylpyrrolidine
    • NS00010760
    • 23950-04-1

  • Applications

    Alpha-Nicotine (CAS 23950-04-1) is typically used as an intermediate or building block in pharmaceutical synthesis, enabling access to nicotinic receptor ligands and related alkaloid derivatives. It also serves as a research reagent in neuropharmacology and structure–activity studies focused on nicotinic receptors. Additionally, it may be considered as a precursor for the development of agrochemical agents with nicotine-like activity. In analytical chemistry, alpha-Nicotine can function as a reference standard or analytical material for alkaloid quantification methods. Industry workflows may evaluate it as an input for general synthetic routes to specialty chemicals involving chiral amines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 162.85
    methanol 170.34
    isopropanol 90.35
    water 6.85
    ethyl acetate 107.07
    n-propanol 145.23
    acetone 116.09
    n-butanol 123.46
    acetonitrile 150.14
    DMF 194.52
    toluene 102.84
    isobutanol 116.63
    1,4-dioxane 216.79
    methyl acetate 104.63
    THF 225.09
    2-butanone 107.46
    n-pentanol 92.33
    sec-butanol 88.9
    n-hexane 6.74
    ethylene glycol 95.19
    NMP 200.56
    cyclohexane 29.58
    DMSO 263.59
    n-butyl acetate 123.4
    n-octanol 56.29
    chloroform 898.67
    n-propyl acetate 70.49
    acetic acid 288.72
    dichloromethane 848.01
    cyclohexanone 228.47
    propylene glycol 97.86
    isopropyl acetate 57.86
    DMAc 148.92
    2-ethoxyethanol 128.1
    isopentanol 99.58
    n-heptane 16.06
    ethyl formate 154.83
    1,2-dichloroethane 309.18
    n-hexanol 133.14
    2-methoxyethanol 199.93
    isobutyl acetate 57.17
    tetrachloromethane 146.48
    n-pentyl acetate 56.54
    transcutol 294.38
    n-heptanol 65.53
    ethylbenzene 43.55
    MIBK 54.24
    2-propoxyethanol 177.01
    tert-butanol 91.0
    MTBE 51.96
    2-butoxyethanol 104.79
    propionic acid 166.2
    o-xylene 71.89
    formic acid 126.44
    diethyl ether 59.95
    m-xylene 70.35
    p-xylene 64.79
    chlorobenzene 214.36
    dimethyl carbonate 52.84
    n-octane 6.77
    formamide 128.59
    cyclopentanone 223.46
    2-pentanone 76.36
    anisole 81.28
    cyclopentyl methyl ether 108.34
    gamma-butyrolactone 285.14
    1-methoxy-2-propanol 126.87
    pyridine 285.21
    3-pentanone 67.9
    furfural 354.08
    n-dodecane 7.94
    diethylene glycol 165.8
    diisopropyl ether 20.63
    tert-amyl alcohol 79.76
    acetylacetone 94.51
    n-hexadecane 8.86
    acetophenone 92.94
    methyl propionate 90.35
    isopentyl acetate 97.71
    trichloroethylene 615.9
    n-nonanol 50.35
    cyclohexanol 124.86
    benzyl alcohol 110.03
    2-ethylhexanol 83.76
    isooctanol 51.45
    dipropyl ether 64.01
    1,2-dichlorobenzene 190.18
    ethyl lactate 61.99
    propylene carbonate 215.38
    n-methylformamide 158.12
    2-pentanol 61.91
    n-pentane 10.79
    1-propoxy-2-propanol 122.46
    1-methoxy-2-propyl acetate 103.64
    2-(2-methoxypropoxy) propanol 97.7
    mesitylene 44.62
    ε-caprolactone 181.13
    p-cymene 52.04
    epichlorohydrin 298.78
    1,1,1-trichloroethane 266.49
    2-aminoethanol 138.25
    morpholine-4-carbaldehyde 204.7
    sulfolane 299.46
    2,2,4-trimethylpentane 10.24
    2-methyltetrahydrofuran 158.27
    n-hexyl acetate 76.37
    isooctane 7.7
    2-(2-butoxyethoxy)ethanol 123.93
    sec-butyl acetate 44.18
    tert-butyl acetate 52.92
    decalin 15.09
    glycerin 138.0
    diglyme 211.51
    acrylic acid 186.2
    isopropyl myristate 37.18
    n-butyric acid 212.88
    acetyl acetate 88.42
    di(2-ethylhexyl) phthalate 59.21
    ethyl propionate 61.86
    nitromethane 275.63
    1,2-diethoxyethane 90.25
    benzonitrile 173.76
    trioctyl phosphate 40.81
    1-bromopropane 156.67
    gamma-valerolactone 259.87
    n-decanol 41.22
    triethyl phosphate 52.3
    4-methyl-2-pentanol 43.98
    propionitrile 135.88
    vinylene carbonate 240.42
    1,1,2-trichlorotrifluoroethane 255.0
    DMS 74.9
    cumene 40.03
    2-octanol 36.78
    2-hexanone 62.21
    octyl acetate 50.97
    limonene 67.7
    1,2-dimethoxyethane 145.23
    ethyl orthosilicate 49.36
    tributyl phosphate 48.01
    diacetone alcohol 74.67
    N,N-dimethylaniline 63.75
    acrylonitrile 188.88
    aniline 145.9
    1,3-propanediol 149.21
    bromobenzene 226.29
    dibromomethane 494.51
    1,1,2,2-tetrachloroethane 417.94
    2-methyl-cyclohexyl acetate 78.6
    tetrabutyl urea 58.27
    diisobutyl methanol 43.04
    2-phenylethanol 122.05
    styrene 57.87
    dioctyl adipate 63.59
    dimethyl sulfate 82.98
    ethyl butyrate 81.96
    methyl lactate 75.84
    butyl lactate 65.85
    diethyl carbonate 67.54
    propanediol butyl ether 92.34
    triethyl orthoformate 65.56
    p-tert-butyltoluene 44.03
    methyl 4-tert-butylbenzoate 93.13
    morpholine 205.07
    tert-butylamine 61.97
    n-dodecanol 35.22
    dimethoxymethane 106.1
    ethylene carbonate 186.14
    cyrene 106.94
    2-ethoxyethyl acetate 83.2
    2-ethylhexyl acetate 80.08
    1,2,4-trichlorobenzene 209.12
    4-methylpyridine 208.54
    dibutyl ether 47.06
    2,6-dimethyl-4-heptanol 43.04
    DEF 106.31
    dimethyl isosorbide 154.01
    tetrachloroethylene 333.33
    eugenol 95.96
    triacetin 86.8
    span 80 95.7
    1,4-butanediol 81.96
    1,1-dichloroethane 274.32
    2-methyl-1-pentanol 81.25
    methyl formate 145.53
    2-methyl-1-butanol 101.61
    n-decane 10.61
    butyronitrile 143.87
    3,7-dimethyl-1-octanol 56.75
    1-chlorooctane 40.93
    1-chlorotetradecane 21.23
    n-nonane 9.51
    undecane 8.93
    tert-butylcyclohexane 12.39
    cyclooctane 10.56
    cyclopentanol 135.51
    tetrahydropyran 169.99
    tert-amyl methyl ether 44.57
    2,5,8-trioxanonane 152.32
    1-hexene 26.86
    2-isopropoxyethanol 83.5
    2,2,2-trifluoroethanol 120.36
    methyl butyrate 86.56

    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