4-Methylpiperidine

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  • Identifiers

    CAS number
    626-58-4

    Molecular formula
    C6H13N

    SMILES
    CC1CCNCC1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 58.6%
    Cheesy 48.38%
    Animal 48.13%
    Nutty 38.68%
    Musty 36.82%
    Sweet 35.03%
    Roasted 34.51%
    Popcorn 28.66%
    Earthy 28.3%
    Solvent 27.7%

     

    Flavor
    Sweet 53.26%
    Animal 42.82%
    Bitter 41.72%
    Floral 38.4%
    Ammoniacal 33.43%
    Amine 29.6%
    Alkaline 28.43%
    Spicy 25.41%
    Shrimp 24.17%
    Mint 23.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.35 (weak base)

    Molecular weight
    99.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    123°C

    Flash point

    • 18.64 ˚C est.

  • Synonyms

    • 4-Methylpiperidine
    • 626-58-4
    • 4-Pipecoline
    • Piperidine, 4-methyl-
    • gamma-Pipecoline
    • EV6HN6HDP8
    • NSC-66495
    • DTXSID8060820
    • RefChem:99934
    • DTXCID6043418
    • 210-954-1
    • 4-methylpiperidin
    • MFCD00006005
    • .gamma.-Pipecoline
    • 4-Methyl-piperidine
    • 4-Methylpiperidine--d4
    • 1219798-85-2
    • ?-Pipecoline
    • 4-methylpiperdine
    • 4-methylpyperidine
    • 4-Pipecoline; 4-Methylpiperidine; NSC 126910; NSC 66495; gamma-Pipecoline
    • NSC66495
    • 4-methyl piperidine
    • EINECS 210-954-1
    • NSC 66495
    • 4-(methyl)piperidine
    • AI3-52235
    • UNII-EV6HN6HDP8
    • 4-Methylpiperidine, 96%
    • SCHEMBL12435
    • SCHEMBL74246
    • SCHEMBL74345
    • CHEMBL21533
    • SCHEMBL566951
    • SCHEMBL996058
    • orb3030006
    • SCHEMBL2040527
    • SCHEMBL3366473
    • SCHEMBL5644530
    • SCHEMBL6334272
    • 4-Methylpiperidine, glass distilled
    • BB_SC-13055
    • SBB027302
    • STL182844
    • AKOS000120457
    • AT44113
    • EBC-618137
    • PS-9331
    • FM157075
    • DB-003057
    • NS00020440
    • P0445
    • ST45255358
    • EN300-18291
    • F005025
    • Q63395353
    • Z57834035
    • F2190-0328
    • InChI=1/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H
    • 626-58-4

  • Applications

    4-Methylpiperidine (CAS number: 626-58-4) serves primarily as an intermediate and building block in the synthesis of piperidine-containing compounds. In pharmaceuticals, it is commonly evaluated as a precursor for drug-like amine derivatives and as a scaffold-building component in medicinal chemistry workflows. In agrochemical research, it may serve as an intermediate for pesticide and herbicide candidates. In general organic synthesis, it is employed as a basic amine in substitution and coupling reactions and as a research reagent for exploring piperidine chemistry. Additionally, it may find use in polymer-related formulations as a starting material for amine-functionalized additives or crosslinking chemistries, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 828.46
    methanol 768.3
    isopropanol 461.04
    water 2.35
    ethyl acetate 720.13
    n-propanol 715.14
    acetone 653.85
    n-butanol 741.04
    acetonitrile 448.29
    DMF 369.79
    toluene 184.23
    isobutanol 348.98
    1,4-dioxane 696.73
    methyl acetate 484.58
    THF 1600.06
    2-butanone 573.64
    n-pentanol 355.64
    sec-butanol 400.09
    n-hexane 90.64
    ethylene glycol 108.29
    NMP 511.5
    cyclohexane 172.88
    DMSO 519.68
    n-butyl acetate 1162.84
    n-octanol 157.61
    chloroform 1751.16
    n-propyl acetate 313.55
    acetic acid 864.56
    dichloromethane 1095.71
    cyclohexanone 809.58
    propylene glycol 168.82
    isopropyl acetate 323.03
    DMAc 246.05
    2-ethoxyethanol 342.03
    isopentanol 378.17
    n-heptane 190.6
    ethyl formate 498.83
    1,2-dichloroethane 568.24
    n-hexanol 752.07
    2-methoxyethanol 661.72
    isobutyl acetate 148.87
    tetrachloromethane 392.07
    n-pentyl acetate 291.38
    transcutol 875.07
    n-heptanol 228.26
    ethylbenzene 48.68
    MIBK 187.98
    2-propoxyethanol 857.43
    tert-butanol 382.69
    MTBE 289.83
    2-butoxyethanol 334.52
    propionic acid 669.25
    o-xylene 90.58
    formic acid 238.92
    diethyl ether 581.45
    m-xylene 103.25
    p-xylene 64.82
    chlorobenzene 340.12
    dimethyl carbonate 81.21
    n-octane 43.49
    formamide 236.98
    cyclopentanone 980.97
    2-pentanone 526.14
    anisole 107.96
    cyclopentyl methyl ether 563.42
    gamma-butyrolactone 1135.89
    1-methoxy-2-propanol 418.81
    pyridine 697.89
    3-pentanone 351.86
    furfural 747.65
    n-dodecane 23.7
    diethylene glycol 408.54
    diisopropyl ether 117.09
    tert-amyl alcohol 269.07
    acetylacetone 376.85
    n-hexadecane 25.73
    acetophenone 106.01
    methyl propionate 395.66
    isopentyl acetate 555.53
    trichloroethylene 1056.58
    n-nonanol 143.51
    cyclohexanol 436.59
    benzyl alcohol 122.26
    2-ethylhexanol 396.46
    isooctanol 147.15
    dipropyl ether 615.54
    1,2-dichlorobenzene 233.2
    ethyl lactate 103.79
    propylene carbonate 531.08
    n-methylformamide 409.25
    2-pentanol 355.1
    n-pentane 137.33
    1-propoxy-2-propanol 748.93
    1-methoxy-2-propyl acetate 475.36
    2-(2-methoxypropoxy) propanol 156.93
    mesitylene 54.72
    ε-caprolactone 701.95
    p-cymene 96.81
    epichlorohydrin 802.81
    1,1,1-trichloroethane 691.73
    2-aminoethanol 291.7
    morpholine-4-carbaldehyde 435.64
    sulfolane 674.51
    2,2,4-trimethylpentane 37.61
    2-methyltetrahydrofuran 953.43
    n-hexyl acetate 283.4
    isooctane 28.46
    2-(2-butoxyethoxy)ethanol 277.4
    sec-butyl acetate 158.66
    tert-butyl acetate 235.09
    decalin 33.82
    glycerin 185.06
    diglyme 480.97
    acrylic acid 453.29
    isopropyl myristate 93.88
    n-butyric acid 1115.08
    acetyl acetate 351.73
    di(2-ethylhexyl) phthalate 74.42
    ethyl propionate 222.0
    nitromethane 838.3
    1,2-diethoxyethane 545.67
    benzonitrile 255.94
    trioctyl phosphate 66.49
    1-bromopropane 571.67
    gamma-valerolactone 947.06
    n-decanol 107.01
    triethyl phosphate 113.53
    4-methyl-2-pentanol 140.04
    propionitrile 456.02
    vinylene carbonate 434.55
    1,1,2-trichlorotrifluoroethane 525.33
    DMS 124.23
    cumene 35.05
    2-octanol 121.78
    2-hexanone 280.12
    octyl acetate 134.69
    limonene 193.49
    1,2-dimethoxyethane 395.82
    ethyl orthosilicate 123.56
    tributyl phosphate 103.62
    diacetone alcohol 226.4
    N,N-dimethylaniline 54.65
    acrylonitrile 442.31
    aniline 323.28
    1,3-propanediol 417.79
    bromobenzene 313.84
    dibromomethane 840.04
    1,1,2,2-tetrachloroethane 822.62
    2-methyl-cyclohexyl acetate 201.71
    tetrabutyl urea 112.2
    diisobutyl methanol 159.17
    2-phenylethanol 245.49
    styrene 74.8
    dioctyl adipate 106.04
    dimethyl sulfate 100.42
    ethyl butyrate 505.25
    methyl lactate 140.5
    butyl lactate 191.48
    diethyl carbonate 217.94
    propanediol butyl ether 182.03
    triethyl orthoformate 288.09
    p-tert-butyltoluene 90.47
    methyl 4-tert-butylbenzoate 105.99
    morpholine 868.18
    tert-butylamine 270.81
    n-dodecanol 83.15
    dimethoxymethane 288.73
    ethylene carbonate 386.32
    cyrene 99.96
    2-ethoxyethyl acetate 307.46
    2-ethylhexyl acetate 468.42
    1,2,4-trichlorobenzene 264.67
    4-methylpyridine 478.46
    dibutyl ether 303.71
    2,6-dimethyl-4-heptanol 159.17
    DEF 414.33
    dimethyl isosorbide 274.97
    tetrachloroethylene 634.98
    eugenol 101.59
    triacetin 165.1
    span 80 192.79
    1,4-butanediol 128.28
    1,1-dichloroethane 716.5
    2-methyl-1-pentanol 196.06
    methyl formate 258.8
    2-methyl-1-butanol 348.11
    n-decane 46.53
    butyronitrile 593.87
    3,7-dimethyl-1-octanol 169.77
    1-chlorooctane 125.89
    1-chlorotetradecane 45.88
    n-nonane 50.13
    undecane 31.37
    tert-butylcyclohexane 31.19
    cyclooctane 53.91
    cyclopentanol 543.04
    tetrahydropyran 963.25
    tert-amyl methyl ether 207.8
    2,5,8-trioxanonane 264.23
    1-hexene 233.73
    2-isopropoxyethanol 199.28
    2,2,2-trifluoroethanol 226.14
    methyl butyrate 288.85

    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