(+-)-Anabasine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13078-04-1

    Molecular formula
    C10H14N2

    SMILES
    C1CCNC(C1)C2=CN=CC=C2

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 53.78%
    Nutty 52.69%
    Fishy 51.21%
    Roasted 49.07%
    Sweet 42.2%
    Earthy 42.05%
    Popcorn 39.5%
    Musty 37.39%
    Cheesy 36.22%
    Burnt 32.19%

     

    Flavor
    Bitter 67.42%
    Animal 35.77%
    Sweet 28.04%
    Alkaline 24.99%
    Floral 24.76%
    Cereal 23.31%
    Shrimp 22.44%
    Naphthalic 22.31%
    Very strong 21.92%
    Indole 21.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.45 (weak acid)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Melting point expt.

    • 9 °C

    Flash point

    • 115.71 ˚C est.

    Solubility expt.

    • 1000 mg/mL at 25 °C

  • Synonyms

    • (+-)-Anabasine
    • RefChem:390690
    • 13078-04-1
    • (+/-)-Anabasine
    • 3-piperidin-2-ylpyridine
    • DL-Anabasine
    • (+/-) Anabasine
    • MFCD00006370
    • (R,S)-ANABASINE
    • 2-Pyridin-3-ylpiperidine
    • 3-(2-piperidyl)pyridine
    • Pyridine, 3-(2-piperidinyl)-
    • (+/-)Anabasine
    • 2-(3-Pyridyl)piperidine
    • 40774-73-0
    • 2-(3-Pyridinyl)piperidine
    • CHEMBL280963
    • (R,S)-3-(2-Piperidinyl)Pyridine
    • ( inverted exclamation markA) Anabasine
    • 1,2,3,4,5,6-Hexahydro-[2,3']Bipyridinyl
    • 3-[(2RS)-Piperidin-2-yl]pyridine ((RS)-Anabasine)
    • MLS000737148
    • 2-(3-Pyridinyl)piperidine #
    • SR-01000765740
    • () Anabasine
    • Spectrum_000023
    • Anabasine, (+/-)
    • Anabasine, >=97%
    • SpecPlus_000616
    • (.+/-.)-Anabasine
    • Prestwick0_000669
    • Prestwick1_000669
    • Prestwick2_000669
    • Spectrum2_001792
    • Spectrum3_001356
    • Spectrum4_000071
    • Spectrum4_001899
    • Spectrum5_000558
    • 2-(3-PYRIDYL)PIPERIDINE/(-)-ANABASINE
    • BSPBio_003171
    • KBioGR_000621
    • KBioGR_002463
    • KBioSS_000383
    • DivK1c_006712
    • SCHEMBL117530
    • 2-(pyridin-3-yl)-piperidine
    • SPBio_001743
    • SPBio_002658
    • orb1301109
    • SCHEMBL1462347
    • SCHEMBL30835558
    • KBio1_001656
    • KBio2_000383
    • KBio2_002951
    • KBio2_005519
    • KBio3_002391
    • DTXSID50859409
    • HMS1570E19
    • HMS2269F13
    • rac.-2-(pyridin-3-yl)piperidine
    • ALBB-006068
    • BB_NC-02926
    • MSK20296
    • BDBM50026461
    • EBC-03276
    • PDSP1_000171
    • PDSP2_000170
    • SBB000142
    • STK028316
    • AKOS000276953
    • AKOS016050677
    • PYRIDINE,3-(2-PIPERIDINYL)-
    • AB00736
    • AB07621
    • AB49757
    • CCG-208545
    • FA17897
    • HY-W052144
    • PS-4547
    • SDCCGMLS-0066614.P001
    • SMP2_000070
    • NCGC00017173-02
    • NCGC00163365-01
    • AC-10023
    • SMR000528391
    • ST018408
    • SY062144
    • DB-008085
    • DB-015784
    • CS-0044923
    • NS00010643
    • (+/-)-Anabasine, >=90% (TLC), liquid
    • EN300-95113
    • C06180
    • N10845
    • F068881
    • Q419308
    • SR-01000765740-4
    • BRD-A24284985-001-09-9
    • BRD-A24284985-003-03-8
    • E48D8A38-D352-4AA3-BCCF-B14E46A0556C
    • F2158-0913
    • 13078-04-1

  • Applications

    (+-)-Anabasine, CAS 13078-04-1, is a natural piperidine alkaloid with activity on nicotinic acetylcholine receptors. In pharmaceutical research it is considered a ligand for nicotinic receptor studies, supporting mechanistic investigations and the exploration of receptor-modulating compounds. It can serve as an intermediate or building block in the synthesis of piperidine-containing pharmaceuticals and related bioactive reagents, contributing to medicinal chemistry workflows. In agriculture it has been studied for natural insecticidal properties and may be considered for pest-management research. For analytical chemistry, it is used as a reference standard or calibration material in methods for quantifying tobacco alkaloids in tobacco-related products and mixtures. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 157.06
    methanol 224.7
    isopropanol 66.48
    water 1.38
    ethyl acetate 122.12
    n-propanol 126.78
    acetone 147.81
    n-butanol 117.03
    acetonitrile 74.63
    DMF 390.86
    toluene 68.04
    isobutanol 79.43
    1,4-dioxane 212.09
    methyl acetate 80.89
    THF 265.19
    2-butanone 97.54
    n-pentanol 75.45
    sec-butanol 54.31
    n-hexane 2.43
    ethylene glycol 91.99
    NMP 279.66
    cyclohexane 9.91
    DMSO 610.23
    n-butyl acetate 108.52
    n-octanol 22.14
    chloroform 546.8
    n-propyl acetate 61.83
    acetic acid 323.78
    dichloromethane 498.58
    cyclohexanone 226.1
    propylene glycol 74.0
    isopropyl acetate 58.27
    DMAc 230.74
    2-ethoxyethanol 128.29
    isopentanol 79.24
    n-heptane 6.42
    ethyl formate 152.02
    1,2-dichloroethane 269.66
    n-hexanol 110.01
    2-methoxyethanol 283.81
    isobutyl acetate 43.06
    tetrachloromethane 55.98
    n-pentyl acetate 38.15
    transcutol 328.14
    n-heptanol 35.21
    ethylbenzene 19.65
    MIBK 48.34
    2-propoxyethanol 184.41
    tert-butanol 65.07
    MTBE 32.89
    2-butoxyethanol 72.35
    propionic acid 168.74
    o-xylene 40.19
    formic acid 164.45
    diethyl ether 47.47
    m-xylene 50.52
    p-xylene 26.19
    chlorobenzene 156.73
    dimethyl carbonate 60.62
    n-octane 2.22
    formamide 165.25
    cyclopentanone 272.26
    2-pentanone 95.39
    anisole 47.75
    cyclopentyl methyl ether 116.04
    gamma-butyrolactone 367.71
    1-methoxy-2-propanol 156.79
    pyridine 297.01
    3-pentanone 66.23
    furfural 401.62
    n-dodecane 2.34
    diethylene glycol 191.65
    diisopropyl ether 12.32
    tert-amyl alcohol 48.19
    acetylacetone 115.55
    n-hexadecane 2.62
    acetophenone 64.25
    methyl propionate 109.03
    isopentyl acetate 68.93
    trichloroethylene 604.48
    n-nonanol 21.72
    cyclohexanol 90.79
    benzyl alcohol 81.6
    2-ethylhexanol 52.39
    isooctanol 26.39
    dipropyl ether 47.08
    1,2-dichlorobenzene 129.59
    ethyl lactate 47.88
    propylene carbonate 213.64
    n-methylformamide 242.15
    2-pentanol 47.1
    n-pentane 3.51
    1-propoxy-2-propanol 111.27
    1-methoxy-2-propyl acetate 99.99
    2-(2-methoxypropoxy) propanol 63.13
    mesitylene 27.21
    ε-caprolactone 179.26
    p-cymene 23.95
    epichlorohydrin 355.39
    1,1,1-trichloroethane 146.96
    2-aminoethanol 127.62
    morpholine-4-carbaldehyde 253.54
    sulfolane 398.14
    2,2,4-trimethylpentane 3.79
    2-methyltetrahydrofuran 160.16
    n-hexyl acetate 41.54
    isooctane 2.92
    2-(2-butoxyethoxy)ethanol 95.0
    sec-butyl acetate 31.9
    tert-butyl acetate 43.58
    decalin 5.48
    glycerin 142.79
    diglyme 178.01
    acrylic acid 197.09
    isopropyl myristate 17.31
    n-butyric acid 257.78
    acetyl acetate 86.63
    di(2-ethylhexyl) phthalate 32.39
    ethyl propionate 50.09
    nitromethane 377.73
    1,2-diethoxyethane 82.59
    benzonitrile 117.28
    trioctyl phosphate 21.89
    1-bromopropane 85.4
    gamma-valerolactone 332.93
    n-decanol 18.08
    triethyl phosphate 33.44
    4-methyl-2-pentanol 28.77
    propionitrile 86.04
    vinylene carbonate 213.64
    1,1,2-trichlorotrifluoroethane 317.09
    DMS 47.26
    cumene 16.06
    2-octanol 15.82
    2-hexanone 50.34
    octyl acetate 25.13
    limonene 34.57
    1,2-dimethoxyethane 137.76
    ethyl orthosilicate 31.23
    tributyl phosphate 26.69
    diacetone alcohol 68.18
    N,N-dimethylaniline 34.69
    acrylonitrile 152.99
    aniline 140.47
    1,3-propanediol 155.52
    bromobenzene 153.98
    dibromomethane 259.14
    1,1,2,2-tetrachloroethane 392.99
    2-methyl-cyclohexyl acetate 48.32
    tetrabutyl urea 36.57
    diisobutyl methanol 24.62
    2-phenylethanol 88.89
    styrene 30.2
    dioctyl adipate 31.55
    dimethyl sulfate 103.2
    ethyl butyrate 68.94
    methyl lactate 84.87
    butyl lactate 43.3
    diethyl carbonate 44.37
    propanediol butyl ether 64.63
    triethyl orthoformate 46.02
    p-tert-butyltoluene 21.94
    methyl 4-tert-butylbenzoate 54.2
    morpholine 246.76
    tert-butylamine 32.35
    n-dodecanol 15.73
    dimethoxymethane 163.63
    ethylene carbonate 170.54
    cyrene 79.35
    2-ethoxyethyl acetate 65.2
    2-ethylhexyl acetate 55.79
    1,2,4-trichlorobenzene 145.44
    4-methylpyridine 197.53
    dibutyl ether 22.29
    2,6-dimethyl-4-heptanol 24.62
    DEF 152.37
    dimethyl isosorbide 108.2
    tetrachloroethylene 303.83
    eugenol 59.47
    triacetin 52.27
    span 80 62.08
    1,4-butanediol 63.53
    1,1-dichloroethane 172.36
    2-methyl-1-pentanol 58.24
    methyl formate 171.36
    2-methyl-1-butanol 71.94
    n-decane 3.07
    butyronitrile 101.38
    3,7-dimethyl-1-octanol 26.92
    1-chlorooctane 15.5
    1-chlorotetradecane 7.76
    n-nonane 2.56
    undecane 2.65
    tert-butylcyclohexane 4.59
    cyclooctane 4.07
    cyclopentanol 108.28
    tetrahydropyran 158.7
    tert-amyl methyl ether 29.27
    2,5,8-trioxanonane 122.82
    1-hexene 12.27
    2-isopropoxyethanol 71.43
    2,2,2-trifluoroethanol 101.2
    methyl butyrate 75.01

    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