3-Methylpiperidine

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  • Identifiers

    CAS number
    626-56-2

    Molecular formula
    C6H13N

    SMILES
    CC1CCCNC1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 64.39%
    Animal 46.75%
    Cheesy 45.4%
    Sweet 33.79%
    Nutty 30.74%
    Floral 29.62%
    Ripe 29.36%
    Roasted 29.02%
    Musty 28.68%
    Earthy 24.57%

     

    Flavor
    Sweet 49.81%
    Bitter 43.94%
    Animal 41.54%
    Floral 39.04%
    Ammoniacal 32.95%
    Amine 30.04%
    Alkaline 28.56%
    Spicy 26.76%
    Shrimp 24.59%
    Egg 23.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.98 (neutral)

    Molecular weight
    99.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 17.55 ˚C est.

  • Synonyms

    • 3-Methylpiperidine
    • 626-56-2
    • 3-Pipecoline
    • Piperidine, 3-methyl-
    • beta-Pipecoline
    • .beta.-Pipecoline
    • .beta.-Methylpiperidine
    • 3-Methyl-piperidine
    • beta-Methylpiperidine
    • UNII-FDI976OYAS
    • FDI976OYAS
    • (S)-3-Methylpiperidine
    • m-methylpiperidine
    • (+/-)-3-methylpiperidine
    • MFCD00005994
    • DTXSID4029195
    • (rs)-3-methylpiperidine
    • (rac)-3-methylpiperidine
    • EINECS 210-953-6
    • NSC 66494
    • NSC-66494
    • DTXCID809195
    • MFCD08448244
    • J11.560F
    • PIPERIDINE, 3-METHYL-, (+/-)-
    • (R)-(-)-3-Methyl-piperidine
    • MFCD08448245
    • ss--Pipecoline
    • 3-methyl piperidine
    • 3-Pipecoline (8CI)
    • racemic 3-methylpiperidine
    • (+-)-3-methylpiperidine
    • 3-Methylpiperidine, 99%
    • (3RS)-3-methylpiperidine
    • racemic 3-methyl-piperidine
    • (RS) 3-(methyl)piperidine
    • CHEMBL279512
    • (S)-(+)-3-Methyl-piperidine
    • NSC66494
    • STR03044
    • Tox21_200877
    • STL183255
    • (.+-.)-3-METHYLPIPERIDINE
    • AKOS000118976
    • AKOS016050407
    • 3-Methylpiperidine, analytical standard
    • AB00557
    • SB18636
    • SB18638
    • NCGC00248860-01
    • NCGC00258431-01
    • CAS-626-56-2
    • PIPERIDINE, 3-METHYL-, (+-)-
    • SY273114
    • DB-003055
    • P0444
    • PIPERIDINE, 3-METHYL-, (.+-.)-
    • EN300-19223
    • Q27277932
    • F2190-0327
    • 210-953-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2596.2
    methanol 2356.27
    isopropanol 1294.94
    water 3.73
    ethyl acetate 1976.77
    n-propanol 1857.39
    acetone 1653.21
    n-butanol 2157.61
    acetonitrile 1162.81
    DMF 777.0
    toluene 420.3
    isobutanol 911.88
    1,4-dioxane 1460.4
    methyl acetate 1063.05
    THF 3322.19
    2-butanone 1310.82
    n-pentanol 1004.39
    sec-butanol 1011.27
    n-hexane 173.95
    ethylene glycol 246.89
    NMP 740.58
    cyclohexane 258.88
    DMSO 1117.52
    n-butyl acetate 3717.49
    n-octanol 341.83
    chloroform 3290.82
    n-propyl acetate 861.59
    acetic acid 1958.86
    dichloromethane 2308.25
    cyclohexanone 1494.89
    propylene glycol 341.05
    isopropyl acetate 958.51
    DMAc 464.1
    2-ethoxyethanol 940.34
    isopentanol 1149.84
    n-heptane 357.86
    ethyl formate 1362.91
    1,2-dichloroethane 1174.29
    n-hexanol 2023.64
    2-methoxyethanol 1794.58
    isobutyl acetate 398.55
    tetrachloromethane 758.49
    n-pentyl acetate 725.14
    transcutol 2073.55
    n-heptanol 530.02
    ethylbenzene 101.9
    MIBK 558.87
    2-propoxyethanol 2161.55
    tert-butanol 952.06
    MTBE 857.31
    2-butoxyethanol 819.01
    propionic acid 1241.21
    o-xylene 177.28
    formic acid 588.09
    diethyl ether 1677.13
    m-xylene 233.43
    p-xylene 129.53
    chlorobenzene 687.51
    dimethyl carbonate 172.76
    n-octane 73.95
    formamide 554.09
    cyclopentanone 1761.92
    2-pentanone 1476.42
    anisole 238.95
    cyclopentyl methyl ether 1235.32
    gamma-butyrolactone 1873.79
    1-methoxy-2-propanol 1095.68
    pyridine 1382.55
    3-pentanone 786.77
    furfural 1345.32
    n-dodecane 38.74
    diethylene glycol 953.33
    diisopropyl ether 324.13
    tert-amyl alcohol 656.73
    acetylacetone 934.3
    n-hexadecane 41.68
    acetophenone 214.63
    methyl propionate 881.11
    isopentyl acetate 1647.82
    trichloroethylene 2073.51
    n-nonanol 285.77
    cyclohexanol 898.03
    benzyl alcohol 269.44
    2-ethylhexanol 1020.37
    isooctanol 308.54
    dipropyl ether 1542.07
    1,2-dichlorobenzene 421.83
    ethyl lactate 218.73
    propylene carbonate 1065.41
    n-methylformamide 906.59
    2-pentanol 1005.97
    n-pentane 284.08
    1-propoxy-2-propanol 1815.9
    1-methoxy-2-propyl acetate 1211.57
    2-(2-methoxypropoxy) propanol 289.75
    mesitylene 121.01
    ε-caprolactone 1326.92
    p-cymene 194.36
    epichlorohydrin 1746.38
    1,1,1-trichloroethane 1286.45
    2-aminoethanol 651.71
    morpholine-4-carbaldehyde 806.27
    sulfolane 1049.47
    2,2,4-trimethylpentane 76.0
    2-methyltetrahydrofuran 2036.05
    n-hexyl acetate 622.45
    isooctane 72.59
    2-(2-butoxyethoxy)ethanol 567.66
    sec-butyl acetate 437.62
    tert-butyl acetate 637.38
    decalin 55.16
    glycerin 388.72
    diglyme 991.95
    acrylic acid 813.84
    isopropyl myristate 170.13
    n-butyric acid 2826.32
    acetyl acetate 822.99
    di(2-ethylhexyl) phthalate 127.62
    ethyl propionate 535.49
    nitromethane 1725.32
    1,2-diethoxyethane 1479.92
    benzonitrile 541.85
    trioctyl phosphate 123.84
    1-bromopropane 1202.54
    gamma-valerolactone 1713.32
    n-decanol 203.87
    triethyl phosphate 229.46
    4-methyl-2-pentanol 379.81
    propionitrile 1136.54
    vinylene carbonate 811.84
    1,1,2-trichlorotrifluoroethane 965.09
    DMS 235.12
    cumene 65.64
    2-octanol 268.27
    2-hexanone 735.28
    octyl acetate 257.51
    limonene 396.99
    1,2-dimethoxyethane 1093.16
    ethyl orthosilicate 259.91
    tributyl phosphate 197.26
    diacetone alcohol 540.8
    N,N-dimethylaniline 112.45
    acrylonitrile 1033.82
    aniline 682.36
    1,3-propanediol 1113.9
    bromobenzene 635.87
    dibromomethane 1736.11
    1,1,2,2-tetrachloroethane 1474.93
    2-methyl-cyclohexyl acetate 425.21
    tetrabutyl urea 200.59
    diisobutyl methanol 369.19
    2-phenylethanol 564.35
    styrene 160.44
    dioctyl adipate 183.78
    dimethyl sulfate 186.8
    ethyl butyrate 1390.08
    methyl lactate 296.05
    butyl lactate 400.56
    diethyl carbonate 506.82
    propanediol butyl ether 394.06
    triethyl orthoformate 657.24
    p-tert-butyltoluene 180.1
    methyl 4-tert-butylbenzoate 178.12
    morpholine 1890.68
    tert-butylamine 652.66
    n-dodecanol 154.51
    dimethoxymethane 784.24
    ethylene carbonate 803.4
    cyrene 167.53
    2-ethoxyethyl acetate 729.18
    2-ethylhexyl acetate 1262.13
    1,2,4-trichlorobenzene 443.07
    4-methylpyridine 1140.17
    dibutyl ether 671.76
    2,6-dimethyl-4-heptanol 369.19
    DEF 1061.7
    dimethyl isosorbide 483.7
    tetrachloroethylene 1230.06
    eugenol 182.03
    triacetin 301.52
    span 80 334.61
    1,4-butanediol 327.15
    1,1-dichloroethane 1543.86
    2-methyl-1-pentanol 581.84
    methyl formate 586.12
    2-methyl-1-butanol 980.94
    n-decane 75.5
    butyronitrile 1787.95
    3,7-dimethyl-1-octanol 351.04
    1-chlorooctane 229.52
    1-chlorotetradecane 77.94
    n-nonane 79.86
    undecane 51.45
    tert-butylcyclohexane 58.69
    cyclooctane 87.69
    cyclopentanol 1014.59
    tetrahydropyran 2113.44
    tert-amyl methyl ether 530.66
    2,5,8-trioxanonane 503.42
    1-hexene 565.03
    2-isopropoxyethanol 488.59
    2,2,2-trifluoroethanol 414.12
    methyl butyrate 790.13

    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