2-(1-Propenyl)-delta1-piperideine

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  • Identifiers

    CAS number
    16543-92-3

    Molecular formula
    C8H13N

    SMILES
    C/C=C\C1=NCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Herbal 43.78%
    Green 41.38%
    Roasted 39.03%
    Nutty 38.76%
    Spicy 35.94%
    Fruity 31.41%
    Vegetable 29.97%
    Meaty 28.48%
    Mint 26.56%
    Fishy 25.8%

     

    Flavor
    Herbal 33.71%
    Green 33.04%
    Spice 32.39%
    Spicy 31.03%
    Mint 28.66%
    Fatty 26.26%
    Oily 23.23%
    Shrimp 22.89%
    Diphenyl oxide 21.62%
    Linalool 21.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.1 (weak base)

    Molecular weight
    123.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Melting point expt.

    • 112 - 114 °C

    Flash point

    • 63.21 ˚C est.

  • Synonyms

    • 2-(1-Propenyl)-delta1-piperideine
    • 6-[(1Z)-prop-1-en-1-yl]-2,3,4,5-tetrahydropyridine
    • 16543-92-3
    • 2-(1-Propenyl)-D1-piperideine
    • DTXSID10719772
    • CHEBI:192718
    • 6-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
    • 16543-92-3

  • Applications

    2-(1-Propenyl)-delta1-piperideine (CAS 16543-92-3) is primarily used as a synthetic intermediate to build nitrogen-containing piperidine compounds, facilitating the preparation of pharmaceutical and heterocyclic scaffolds; it is also considered a precursor for agrochemical actives in agricultural product development; owing to its allyl substituent and imine functionality, it is explored in fragrance and flavor chemistry as a potential precursor to aroma compounds; additionally, it may serve as a versatile building block in research and development for nitrogen-containing polymers and materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 451.27
    methanol 358.77
    isopropanol 382.44
    water 0.39
    ethyl acetate 500.27
    n-propanol 396.48
    acetone 650.49
    n-butanol 440.86
    acetonitrile 577.2
    DMF 670.88
    toluene 685.4
    isobutanol 333.19
    1,4-dioxane 900.22
    methyl acetate 456.72
    THF 1321.07
    2-butanone 577.78
    n-pentanol 309.37
    sec-butanol 389.75
    n-hexane 275.52
    ethylene glycol 94.52
    NMP 798.12
    cyclohexane 551.16
    DMSO 995.12
    n-butyl acetate 766.07
    n-octanol 342.66
    chloroform 2519.49
    n-propyl acetate 333.4
    acetic acid 560.05
    dichloromethane 2204.3
    cyclohexanone 989.62
    propylene glycol 152.88
    isopropyl acetate 285.62
    DMAc 529.27
    2-ethoxyethanol 277.54
    isopentanol 377.1
    n-heptane 402.32
    ethyl formate 354.79
    1,2-dichloroethane 1040.25
    n-hexanol 637.14
    2-methoxyethanol 447.78
    isobutyl acetate 228.17
    tetrachloromethane 564.88
    n-pentyl acetate 338.36
    transcutol 1249.66
    n-heptanol 278.15
    ethylbenzene 307.69
    MIBK 296.22
    2-propoxyethanol 567.74
    tert-butanol 475.13
    MTBE 441.58
    2-butoxyethanol 321.23
    propionic acid 406.66
    o-xylene 358.0
    formic acid 94.08
    diethyl ether 559.26
    m-xylene 390.92
    p-xylene 352.18
    chlorobenzene 901.11
    dimethyl carbonate 180.03
    n-octane 117.49
    formamide 128.05
    cyclopentanone 1021.62
    2-pentanone 500.3
    anisole 431.58
    cyclopentyl methyl ether 685.98
    gamma-butyrolactone 982.1
    1-methoxy-2-propanol 395.06
    pyridine 1123.95
    3-pentanone 427.0
    furfural 920.24
    n-dodecane 95.6
    diethylene glycol 331.73
    diisopropyl ether 201.69
    tert-amyl alcohol 398.6
    acetylacetone 458.88
    n-hexadecane 107.32
    acetophenone 403.56
    methyl propionate 399.2
    isopentyl acetate 524.75
    trichloroethylene 1977.66
    n-nonanol 282.79
    cyclohexanol 553.54
    benzyl alcohol 344.45
    2-ethylhexanol 445.43
    isooctanol 216.86
    dipropyl ether 621.75
    1,2-dichlorobenzene 748.45
    ethyl lactate 173.83
    propylene carbonate 637.52
    n-methylformamide 286.82
    2-pentanol 337.67
    n-pentane 271.22
    1-propoxy-2-propanol 502.0
    1-methoxy-2-propyl acetate 421.83
    2-(2-methoxypropoxy) propanol 377.73
    mesitylene 261.12
    ε-caprolactone 738.99
    p-cymene 296.09
    epichlorohydrin 1008.98
    1,1,1-trichloroethane 1195.88
    2-aminoethanol 178.78
    morpholine-4-carbaldehyde 676.65
    sulfolane 1210.89
    2,2,4-trimethylpentane 107.47
    2-methyltetrahydrofuran 1029.99
    n-hexyl acetate 530.6
    isooctane 89.18
    2-(2-butoxyethoxy)ethanol 471.2
    sec-butyl acetate 211.19
    tert-butyl acetate 298.51
    decalin 183.09
    glycerin 190.05
    diglyme 792.62
    acrylic acid 366.94
    isopropyl myristate 258.41
    n-butyric acid 594.37
    acetyl acetate 311.49
    di(2-ethylhexyl) phthalate 239.77
    ethyl propionate 294.22
    nitromethane 655.27
    1,2-diethoxyethane 581.47
    benzonitrile 682.68
    trioctyl phosphate 181.73
    1-bromopropane 938.27
    gamma-valerolactone 868.06
    n-decanol 224.43
    triethyl phosphate 209.98
    4-methyl-2-pentanol 181.53
    propionitrile 537.46
    vinylene carbonate 608.2
    1,1,2-trichlorotrifluoroethane 705.59
    DMS 347.97
    cumene 210.35
    2-octanol 201.38
    2-hexanone 387.46
    octyl acetate 319.55
    limonene 485.96
    1,2-dimethoxyethane 571.56
    ethyl orthosilicate 197.18
    tributyl phosphate 229.02
    diacetone alcohol 307.07
    N,N-dimethylaniline 317.94
    acrylonitrile 559.45
    aniline 560.05
    1,3-propanediol 240.08
    bromobenzene 1200.83
    dibromomethane 1709.58
    1,1,2,2-tetrachloroethane 1519.66
    2-methyl-cyclohexyl acetate 350.28
    tetrabutyl urea 290.96
    diisobutyl methanol 242.29
    2-phenylethanol 427.27
    styrene 439.84
    dioctyl adipate 362.01
    dimethyl sulfate 304.79
    ethyl butyrate 475.27
    methyl lactate 205.46
    butyl lactate 263.04
    diethyl carbonate 297.93
    propanediol butyl ether 329.06
    triethyl orthoformate 303.07
    p-tert-butyltoluene 272.09
    methyl 4-tert-butylbenzoate 358.57
    morpholine 848.15
    tert-butylamine 383.36
    n-dodecanol 188.66
    dimethoxymethane 442.6
    ethylene carbonate 480.41
    cyrene 301.87
    2-ethoxyethyl acetate 371.65
    2-ethylhexyl acetate 465.25
    1,2,4-trichlorobenzene 834.75
    4-methylpyridine 955.98
    dibutyl ether 517.73
    2,6-dimethyl-4-heptanol 242.29
    DEF 509.31
    dimethyl isosorbide 604.49
    tetrachloroethylene 1023.19
    eugenol 332.22
    triacetin 440.82
    span 80 426.12
    1,4-butanediol 120.83
    1,1-dichloroethane 1111.79
    2-methyl-1-pentanol 287.18
    methyl formate 265.09
    2-methyl-1-butanol 378.06
    n-decane 144.29
    butyronitrile 632.91
    3,7-dimethyl-1-octanol 327.93
    1-chlorooctane 374.86
    1-chlorotetradecane 168.36
    n-nonane 156.46
    undecane 114.61
    tert-butylcyclohexane 147.94
    cyclooctane 206.45
    cyclopentanol 575.58
    tetrahydropyran 1076.64
    tert-amyl methyl ether 338.93
    2,5,8-trioxanonane 594.44
    1-hexene 508.96
    2-isopropoxyethanol 228.01
    2,2,2-trifluoroethanol 136.9
    methyl butyrate 391.73

    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