2-Methylpiperidine

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  • Identifiers

    CAS number
    109-05-7

    Molecular formula
    C6H13N

    SMILES
    CC1CCCCN1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 74.39%
    Cheesy 59.22%
    Nutty 56.62%
    Roasted 53.28%
    Popcorn 43.19%
    Animal 40.94%
    Meaty 37.59%
    Musty 35.37%
    Ripe 31.94%
    Burnt 29.1%

     

    Flavor
    Sweet 50.17%
    Animal 42.58%
    Bitter 41.36%
    Floral 38.08%
    Ammoniacal 36.45%
    Amine 29.98%
    Alkaline 28.59%
    Egg 24.7%
    Shrimp 23.97%
    Cauliflower 22.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.2 (weak base)

    Molecular weight
    99.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 117.00 to 119.00 °C. @ 760.00 mm Hg

    Flash point

    • 16.72 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-METHYLPIPERIDINE
    • 109-05-7
    • 2-Pipecoline
    • Piperidine, 2-methyl-
    • Pipicoline
    • alpha-Pipecoline
    • alpha-Pipecolin
    • 2-Methyl-piperidine
    • PIPECOLINE, ALPHA
    • alpha-Methylpiperidine
    • .alpha.-Methylpiperidine
    • .alpha.-Pipecolin
    • EINECS 203-642-1
    • D-alpha-Pipecoline
    • NSC 31047
    • .alpha.-Pipecoline
    • BRN 0079804
    • Pipecoline, .alpha.
    • 2-Pipecoline (8CI)
    • UNII-22E509663B
    • NSC-31047
    • 2-Methyl hexahydropyridine
    • (+/-)-2-methylpiperidine
    • DL-2-METHYLPIPERIDINE
    • 22E509663B
    • FEMA NO. 4244
    • DTXSID90861728
    • 2-METHYLPIPERIDINE [FHFI]
    • 5-20-04-00071 (Beilstein Handbook Reference)
    • (+/-)-.ALPHA.-PIPECOLINE
    • 2-Methylpiperidine, 98%
    • WLN: T6MTJ B1
    • 2-methyl piperidine
    • a-Pipecoline
    • alpha -pipecolin
    • alpha -pipecoline
    • 2-methylpyperidine
    • alpha -methylpiperidine
    • rac.-2-methylpiperidine
    • (RS) 2-(methyl)piperidine
    • (+/-)-2-Methyl-piperidine
    • CHEMBL21454
    • NSC462
    • (+/-)-ALPHA-PIPECOLINE
    • DTXCID30810614
    • NSC-462
    • CHEBI:186840
    • 2-Pipecoline ; 2-Methylpiperidine
    • NSC31047
    • STR03043
    • MFCD00005982
    • STL183272
    • AKOS000120096
    • AKOS016039384
    • SB44667
    • SB44682
    • NS00041435
    • P0443
    • EN300-20696
    • F93019
    • Q27253646
    • F2190-0326
    • Z104479894
    • 203-642-1

  • Applications

    2-Methylpiperidine is a versatile secondary amine used primarily as an intermediate and building block in the pharmaceutical industry for piperidine-containing drug scaffolds, enabling N-alkylation, reductive amination, and other amine derivatizations. It is commonly employed as a precursor in the synthesis of agrochemicals, including piperidine-based pesticides and related compounds. In fragrance and flavor chemistry, it can serve as a starting material or intermediate to construct piperidine-containing aroma compounds. In general chemical manufacturing, it functions as a reactive amine building block for diverse synthetic pathways and the scale-up of related specialty chemicals. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3403.88
    methanol 3187.37
    isopropanol 1567.93
    water 4.6
    ethyl acetate 2617.79
    n-propanol 2335.32
    acetone 2492.3
    n-butanol 2375.14
    acetonitrile 1499.3
    DMF 1121.01
    toluene 564.66
    isobutanol 1046.95
    1,4-dioxane 2168.94
    methyl acetate 1511.88
    THF 4378.32
    2-butanone 1898.07
    n-pentanol 1198.74
    sec-butanol 1248.25
    n-hexane 269.55
    ethylene glycol 339.51
    NMP 1126.05
    cyclohexane 416.03
    DMSO 1682.28
    n-butyl acetate 3513.04
    n-octanol 399.45
    chloroform 4415.31
    n-propyl acetate 935.29
    acetic acid 2157.12
    dichloromethane 3185.37
    cyclohexanone 1999.32
    propylene glycol 478.07
    isopropyl acetate 1138.89
    DMAc 722.25
    2-ethoxyethanol 1146.46
    isopentanol 1152.0
    n-heptane 434.53
    ethyl formate 1477.52
    1,2-dichloroethane 1588.45
    n-hexanol 2180.87
    2-methoxyethanol 2236.69
    isobutyl acetate 416.74
    tetrachloromethane 963.02
    n-pentyl acetate 792.95
    transcutol 2464.37
    n-heptanol 561.92
    ethylbenzene 124.39
    MIBK 618.32
    2-propoxyethanol 2508.7
    tert-butanol 1113.06
    MTBE 1065.09
    2-butoxyethanol 820.55
    propionic acid 1631.39
    o-xylene 222.27
    formic acid 716.02
    diethyl ether 2490.02
    m-xylene 281.86
    p-xylene 153.36
    chlorobenzene 850.79
    dimethyl carbonate 229.35
    n-octane 93.91
    formamide 705.1
    cyclopentanone 2367.55
    2-pentanone 1872.87
    anisole 287.56
    cyclopentyl methyl ether 1639.96
    gamma-butyrolactone 2567.96
    1-methoxy-2-propanol 1331.67
    pyridine 1828.08
    3-pentanone 1101.58
    furfural 1649.57
    n-dodecane 51.61
    diethylene glycol 1063.05
    diisopropyl ether 378.97
    tert-amyl alcohol 751.18
    acetylacetone 1180.46
    n-hexadecane 56.2
    acetophenone 256.82
    methyl propionate 1231.53
    isopentyl acetate 1517.31
    trichloroethylene 2690.24
    n-nonanol 340.77
    cyclohexanol 1106.91
    benzyl alcohol 327.21
    2-ethylhexanol 964.09
    isooctanol 319.27
    dipropyl ether 1719.64
    1,2-dichlorobenzene 509.59
    ethyl lactate 237.09
    propylene carbonate 1159.38
    n-methylformamide 1198.73
    2-pentanol 1097.77
    n-pentane 402.2
    1-propoxy-2-propanol 1943.53
    1-methoxy-2-propyl acetate 1320.83
    2-(2-methoxypropoxy) propanol 335.01
    mesitylene 136.14
    ε-caprolactone 1656.53
    p-cymene 192.27
    epichlorohydrin 2191.21
    1,1,1-trichloroethane 1642.69
    2-aminoethanol 909.41
    morpholine-4-carbaldehyde 1112.16
    sulfolane 1364.48
    2,2,4-trimethylpentane 89.26
    2-methyltetrahydrofuran 2740.28
    n-hexyl acetate 746.45
    isooctane 72.61
    2-(2-butoxyethoxy)ethanol 642.18
    sec-butyl acetate 473.32
    tert-butyl acetate 699.71
    decalin 67.46
    glycerin 495.7
    diglyme 1101.79
    acrylic acid 1019.38
    isopropyl myristate 209.4
    n-butyric acid 3091.41
    acetyl acetate 1032.77
    di(2-ethylhexyl) phthalate 146.9
    ethyl propionate 618.7
    nitromethane 2179.37
    1,2-diethoxyethane 1722.03
    benzonitrile 610.91
    trioctyl phosphate 143.5
    1-bromopropane 1613.95
    gamma-valerolactone 2195.41
    n-decanol 251.77
    triethyl phosphate 223.58
    4-methyl-2-pentanol 389.85
    propionitrile 1388.29
    vinylene carbonate 926.67
    1,1,2-trichlorotrifluoroethane 1179.15
    DMS 303.5
    cumene 74.49
    2-octanol 288.46
    2-hexanone 850.05
    octyl acetate 315.43
    limonene 421.04
    1,2-dimethoxyethane 1299.16
    ethyl orthosilicate 247.25
    tributyl phosphate 219.64
    diacetone alcohol 578.63
    N,N-dimethylaniline 128.7
    acrylonitrile 1250.11
    aniline 870.47
    1,3-propanediol 1343.85
    bromobenzene 812.45
    dibromomethane 2321.79
    1,1,2,2-tetrachloroethane 1916.95
    2-methyl-cyclohexyl acetate 414.96
    tetrabutyl urea 238.4
    diisobutyl methanol 330.08
    2-phenylethanol 641.7
    styrene 204.45
    dioctyl adipate 221.74
    dimethyl sulfate 250.5
    ethyl butyrate 1322.03
    methyl lactate 369.98
    butyl lactate 428.7
    diethyl carbonate 489.99
    propanediol butyl ether 436.84
    triethyl orthoformate 621.29
    p-tert-butyltoluene 179.97
    methyl 4-tert-butylbenzoate 198.2
    morpholine 2703.9
    tert-butylamine 738.17
    n-dodecanol 191.1
    dimethoxymethane 1069.63
    ethylene carbonate 891.55
    cyrene 202.84
    2-ethoxyethyl acetate 853.43
    2-ethylhexyl acetate 1207.42
    1,2,4-trichlorobenzene 549.45
    4-methylpyridine 1445.08
    dibutyl ether 783.21
    2,6-dimethyl-4-heptanol 330.08
    DEF 1387.83
    dimethyl isosorbide 535.01
    tetrachloroethylene 1539.73
    eugenol 199.48
    triacetin 362.44
    span 80 388.75
    1,4-butanediol 386.77
    1,1-dichloroethane 2126.28
    2-methyl-1-pentanol 628.38
    methyl formate 716.38
    2-methyl-1-butanol 1019.74
    n-decane 103.74
    butyronitrile 1911.22
    3,7-dimethyl-1-octanol 398.36
    1-chlorooctane 293.92
    1-chlorotetradecane 99.96
    n-nonane 110.39
    undecane 69.65
    tert-butylcyclohexane 65.87
    cyclooctane 117.32
    cyclopentanol 1331.82
    tetrahydropyran 2966.18
    tert-amyl methyl ether 636.83
    2,5,8-trioxanonane 573.82
    1-hexene 767.78
    2-isopropoxyethanol 595.73
    2,2,2-trifluoroethanol 470.51
    methyl butyrate 855.45

    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