Pipericine

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  • Identifiers

    CAS number
    194808-06-5

    Molecular formula
    C22H41NO

    SMILES
    CCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 48.12%
    Herbal 43.49%
    Fatty 40.69%
    Savory 37.08%
    Spicy 35.94%
    Oily 29.88%
    Waxy 29.39%
    Citrus 29.12%
    Fruity 25.74%
    Roasted 23.89%

     

    Flavor
    Herbal 44.8%
    Spicy 23.25%
    Faint 22.54%
    Woody 21.78%
    Diterpene 20.92%
    Delicate 20.91%
    Low 20.75%
    Oriental 20.54%
    Bland 20.24%
    Slightly waxy 20.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.7

    pKa est.
    7.96 (neutral)

    Molecular weight
    335.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    443°C

    Flash point

    • 202.57 ˚C est.

  • Synonyms

    • Pipericine
    • (2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamide
    • 194808-06-5
    • DTXSID701016819
    • RefChem:1096115
    • DTXCID301475009
    • (2E,4E)-N-Isobutyloctadeca-2,4-dienamide
    • N-isobutyl-(2E,4E)-octadecadienamide
    • N-Isobutyloctadeca-trans-2-trans-4-dienamide
    • 54794-70-6
    • (2E,4E)-N-Isobutyl-2,4-octadecadienamide
    • (2E,4Z)-N-(2-METHYLPROPYL)OCTADECA-2,4-DIENAMIDE
    • CHEMBL256217
    • SCHEMBL29477330
    • DTXSID10718144
    • CHEBI:165576
    • QQCGKIZHTJLRNN-NBRVCOCJSA-N
    • N-isobutyl-2E,4E-octadecadienamide
    • LMFA08020200
    • (E,E)-N-Isobutyl-2,4-octadecadienamide
    • [(2E,4E)-octadecadienoyl]-N-isobutylamide
    • N-Isobutyl-(2E,4E)-octadeca-2,4-dienamide
    • 2,4-Octadecadienamide, N-(2-methylpropyl)-, (E,E)-
    • 2,4-Octadecadienamide, N-(2-methylpropyl)-, (2E,4E)-
    • 54794-70-6

  • Applications

    Pipericine is primarily used as an organic-amine intermediate and building block for the synthesis of piperidine-containing compounds, commonly employed in pharmaceutical R&D as a starting point for APIs and for structure-activity relationship (SAR) exploration. It is also used in agrochemical research as an intermediate for crop-protection agents. In materials and coatings, it can function as a reactive amine component or catalyst for polymer formulations, coatings, and adhesives. Additionally, it serves as a versatile scaffold in medicinal chemistry for library synthesis and SAR studies, with its use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.99
    methanol 59.59
    isopropanol 90.01
    water 0.02
    ethyl acetate 260.77
    n-propanol 88.55
    acetone 204.32
    n-butanol 121.83
    acetonitrile 47.48
    DMF 235.72
    toluene 105.5
    isobutanol 91.26
    1,4-dioxane 215.6
    methyl acetate 147.86
    THF 641.66
    2-butanone 254.98
    n-pentanol 98.67
    sec-butanol 116.75
    n-hexane 34.63
    ethylene glycol 2.8
    NMP 455.45
    cyclohexane 110.23
    DMSO 260.84
    n-butyl acetate 317.41
    n-octanol 86.63
    chloroform 573.58
    n-propyl acetate 327.07
    acetic acid 84.08
    dichloromethane 542.36
    cyclohexanone 636.54
    propylene glycol 14.73
    isopropyl acetate 278.86
    DMAc 501.0
    2-ethoxyethanol 146.21
    isopentanol 166.35
    n-heptane 28.89
    ethyl formate 101.49
    1,2-dichloroethane 410.82
    n-hexanol 100.47
    2-methoxyethanol 128.23
    isobutyl acetate 248.09
    tetrachloromethane 123.87
    n-pentyl acetate 365.84
    transcutol 768.03
    n-heptanol 92.23
    ethylbenzene 84.28
    MIBK 288.07
    2-propoxyethanol 183.03
    tert-butanol 155.88
    MTBE 263.24
    2-butoxyethanol 196.42
    propionic acid 82.41
    o-xylene 101.1
    formic acid 11.84
    diethyl ether 191.41
    m-xylene 93.98
    p-xylene 118.4
    chlorobenzene 183.31
    dimethyl carbonate 51.99
    n-octane 15.04
    formamide 21.84
    cyclopentanone 570.27
    2-pentanone 305.78
    anisole 164.6
    cyclopentyl methyl ether 349.73
    gamma-butyrolactone 434.67
    1-methoxy-2-propanol 172.83
    pyridine 231.36
    3-pentanone 222.71
    furfural 286.81
    n-dodecane 8.96
    diethylene glycol 54.37
    diisopropyl ether 97.64
    tert-amyl alcohol 175.63
    acetylacetone 321.44
    n-hexadecane 10.79
    acetophenone 215.29
    methyl propionate 166.35
    isopentyl acetate 343.7
    trichloroethylene 662.72
    n-nonanol 90.16
    cyclohexanol 201.93
    benzyl alcohol 104.41
    2-ethylhexanol 108.45
    isooctanol 103.82
    dipropyl ether 193.08
    1,2-dichlorobenzene 206.81
    ethyl lactate 103.98
    propylene carbonate 282.08
    n-methylformamide 66.54
    2-pentanol 112.94
    n-pentane 23.27
    1-propoxy-2-propanol 204.75
    1-methoxy-2-propyl acetate 291.22
    2-(2-methoxypropoxy) propanol 179.49
    mesitylene 75.18
    ε-caprolactone 506.33
    p-cymene 69.51
    epichlorohydrin 527.46
    1,1,1-trichloroethane 471.83
    2-aminoethanol 16.5
    morpholine-4-carbaldehyde 326.45
    sulfolane 651.59
    2,2,4-trimethylpentane 29.0
    2-methyltetrahydrofuran 495.08
    n-hexyl acetate 333.0
    isooctane 17.24
    2-(2-butoxyethoxy)ethanol 256.7
    sec-butyl acetate 273.05
    tert-butyl acetate 356.26
    decalin 45.18
    glycerin 21.42
    diglyme 547.82
    acrylic acid 49.71
    isopropyl myristate 111.38
    n-butyric acid 248.74
    acetyl acetate 153.58
    di(2-ethylhexyl) phthalate 94.59
    ethyl propionate 237.27
    nitromethane 162.67
    1,2-diethoxyethane 347.88
    benzonitrile 128.16
    trioctyl phosphate 71.59
    1-bromopropane 275.2
    gamma-valerolactone 635.35
    n-decanol 59.19
    triethyl phosphate 130.84
    4-methyl-2-pentanol 94.9
    propionitrile 79.33
    vinylene carbonate 183.62
    1,1,2-trichlorotrifluoroethane 306.24
    DMS 147.47
    cumene 68.4
    2-octanol 81.13
    2-hexanone 297.78
    octyl acetate 134.73
    limonene 125.9
    1,2-dimethoxyethane 369.87
    ethyl orthosilicate 141.2
    tributyl phosphate 94.2
    diacetone alcohol 296.65
    N,N-dimethylaniline 129.72
    acrylonitrile 68.38
    aniline 102.82
    1,3-propanediol 49.52
    bromobenzene 209.42
    dibromomethane 370.49
    1,1,2,2-tetrachloroethane 692.42
    2-methyl-cyclohexyl acetate 241.07
    tetrabutyl urea 139.7
    diisobutyl methanol 82.55
    2-phenylethanol 107.88
    styrene 93.5
    dioctyl adipate 171.67
    dimethyl sulfate 115.36
    ethyl butyrate 273.4
    methyl lactate 71.09
    butyl lactate 218.5
    diethyl carbonate 140.46
    propanediol butyl ether 150.91
    triethyl orthoformate 219.59
    p-tert-butyltoluene 68.71
    methyl 4-tert-butylbenzoate 230.99
    morpholine 328.1
    tert-butylamine 106.43
    n-dodecanol 41.88
    dimethoxymethane 165.13
    ethylene carbonate 176.52
    cyrene 181.66
    2-ethoxyethyl acetate 359.09
    2-ethylhexyl acetate 288.65
    1,2,4-trichlorobenzene 252.92
    4-methylpyridine 275.27
    dibutyl ether 215.26
    2,6-dimethyl-4-heptanol 82.55
    DEF 333.4
    dimethyl isosorbide 375.66
    tetrachloroethylene 399.82
    eugenol 178.54
    triacetin 297.53
    span 80 181.91
    1,4-butanediol 21.6
    1,1-dichloroethane 384.76
    2-methyl-1-pentanol 134.77
    methyl formate 47.07
    2-methyl-1-butanol 140.87
    n-decane 20.26
    butyronitrile 131.64
    3,7-dimethyl-1-octanol 108.07
    1-chlorooctane 98.62
    1-chlorotetradecane 30.27
    n-nonane 19.35
    undecane 12.63
    tert-butylcyclohexane 36.37
    cyclooctane 27.48
    cyclopentanol 164.16
    tetrahydropyran 432.76
    tert-amyl methyl ether 223.0
    2,5,8-trioxanonane 296.15
    1-hexene 99.32
    2-isopropoxyethanol 152.25
    2,2,2-trifluoroethanol 33.1
    methyl butyrate 350.87

    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