6-Acetyl-2,3,4,5-tetrahydropyridine

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  • Identifiers

    CAS number
    27300-27-2

    Molecular formula
    C7H11NO

    SMILES
    CC(=O)C1=NCCCC1

  • Odor profile

    Fragrance
    Roasted 69.83%
    Nutty 66.71%
    Popcorn 62.43%
    Caramellic 55.12%
    Burnt 37.81%
    Musty 32.56%
    Buttery 32.3%
    Coffee 30.68%
    Hazelnut 30.6%
    Meaty 27.52%

     

    Flavor
    Nutty 45.62%
    Roasted 44.87%
    Roast 40.57%
    Nut 31.64%
    Popcorn 30.51%
    Chip 29.53%
    Caramel 28.56%
    Fishy 28.42%
    Cooked 28.39%
    Corn 28.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    7.6 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 200.00 to 203.00 °C. @ 760.00 mm Hg

    Flash point

    • 85.94 ˚C est.

  • Synonyms

    • 27300-27-2
    • 1-(3,4,5,6-tetrahydropyridin-2-yl)ethanone
    • 1-(3,4,5,6-Tetrahydro-2-pyridinyl)ethanone
    • 2-Acetyl-3,4,5,6-tetrahydropyridine
    • 6-Acetyl-2,3,4,5-tetrahydropyridine
    • 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
    • Ethanone,1-(3,4,5,6-tetrahydro-2-pyridinyl)-
    • D3A5PA4S6W
    • CHEBI:59533
    • DTXSID00865358
    • 1-(3,4,5,6-tetrahydropyridin-2-yl)ethan-1-one
    • Ethanone, 1-(3,4,5,6-tetrahydro-2-pyridinyl)-
    • 2-Acetyl-D1-piperideine
    • 2-Acetyl-D2-piperideine
    • UNII-D3A5PA4S6W
    • SCHEMBL444695
    • DTXCID60813774
    • AKOS016010696
    • DB-290631
    • 1-(1,2,3,4-Tetrahydro-2-pyridinyl)ethanone
    • 1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone
    • 1-(3,4,5,6-Tetrahydro-2-pyridinyl)ethanone #
    • Methyl 3,4,5,6-tetrahydro-2-pyridyl ketone, 8CI
    • Q2817903
    • KETONE, METHYL 3,4,5,6-TETRAHYDRO-2-PYRIDYL

  • Applications

    6-Acetyl-2,3,4,5-tetrahydropyridine (CAS 27300-27-2) is primarily used as a synthetic intermediate in organic synthesis, notably for preparing heterocyclic compounds in pharmaceutical research and fragrance chemistry; in perfumery and cosmetics it functions as a fragrance ingredient or odorant, contributing to specific aroma profiles; it also serves as a building block in the industrial manufacture of specialty chemicals and functional materials; in household and cleaning products it can be evaluated as an aroma additive or fragrance component; and in polymers and plastics chemistry it is explored as a reactive building block for specialty polymers and coatings, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 458.31
    methanol 838.18
    isopropanol 300.7
    water 7.76
    ethyl acetate 269.54
    n-propanol 341.64
    acetone 475.96
    n-butanol 279.62
    acetonitrile 535.12
    DMF 754.23
    toluene 227.76
    isobutanol 242.95
    1,4-dioxane 616.35
    methyl acetate 288.32
    THF 638.77
    2-butanone 352.17
    n-pentanol 201.21
    sec-butanol 237.26
    n-hexane 26.39
    ethylene glycol 192.31
    NMP 771.12
    cyclohexane 32.72
    DMSO 1043.25
    n-butyl acetate 197.19
    n-octanol 130.51
    chloroform 1524.87
    n-propyl acetate 151.91
    acetic acid 630.33
    dichloromethane 1404.78
    cyclohexanone 555.81
    propylene glycol 159.89
    isopropyl acetate 158.16
    DMAc 455.76
    2-ethoxyethanol 309.2
    isopentanol 213.02
    n-heptane 17.11
    ethyl formate 270.27
    1,2-dichloroethane 637.82
    n-hexanol 199.63
    2-methoxyethanol 545.7
    isobutyl acetate 105.3
    tetrachloromethane 215.25
    n-pentyl acetate 162.39
    transcutol 1146.54
    n-heptanol 107.05
    ethylbenzene 107.16
    MIBK 166.03
    2-propoxyethanol 356.08
    tert-butanol 264.83
    MTBE 184.99
    2-butoxyethanol 213.46
    propionic acid 414.99
    o-xylene 146.44
    formic acid 344.57
    diethyl ether 210.45
    m-xylene 156.13
    p-xylene 139.46
    chlorobenzene 457.17
    dimethyl carbonate 110.79
    n-octane 10.9
    formamide 318.4
    cyclopentanone 682.73
    2-pentanone 266.89
    anisole 222.3
    cyclopentyl methyl ether 293.42
    gamma-butyrolactone 778.74
    1-methoxy-2-propanol 352.99
    pyridine 627.84
    3-pentanone 208.01
    furfural 781.47
    n-dodecane 12.32
    diethylene glycol 359.27
    diisopropyl ether 59.57
    tert-amyl alcohol 212.38
    acetylacetone 332.82
    n-hexadecane 13.97
    acetophenone 226.56
    methyl propionate 222.55
    isopentyl acetate 165.3
    trichloroethylene 1374.89
    n-nonanol 101.15
    cyclohexanol 223.16
    benzyl alcohol 226.35
    2-ethylhexanol 112.82
    isooctanol 89.08
    dipropyl ether 102.98
    1,2-dichlorobenzene 378.93
    ethyl lactate 111.13
    propylene carbonate 382.19
    n-methylformamide 477.24
    2-pentanol 159.27
    n-pentane 24.69
    1-propoxy-2-propanol 217.82
    1-methoxy-2-propyl acetate 195.94
    2-(2-methoxypropoxy) propanol 208.65
    mesitylene 98.59
    ε-caprolactone 456.18
    p-cymene 72.59
    epichlorohydrin 746.74
    1,1,1-trichloroethane 567.57
    2-aminoethanol 285.56
    morpholine-4-carbaldehyde 644.95
    sulfolane 966.06
    2,2,4-trimethylpentane 19.26
    2-methyltetrahydrofuran 451.35
    n-hexyl acetate 252.41
    isooctane 15.79
    2-(2-butoxyethoxy)ethanol 305.89
    sec-butyl acetate 106.18
    tert-butyl acetate 166.65
    decalin 28.76
    glycerin 273.07
    diglyme 541.48
    acrylic acid 459.27
    isopropyl myristate 81.38
    n-butyric acid 395.22
    acetyl acetate 212.5
    di(2-ethylhexyl) phthalate 100.79
    ethyl propionate 142.76
    nitromethane 827.37
    1,2-diethoxyethane 250.12
    benzonitrile 425.77
    trioctyl phosphate 68.05
    1-bromopropane 349.58
    gamma-valerolactone 739.62
    n-decanol 73.02
    triethyl phosphate 83.09
    4-methyl-2-pentanol 94.56
    propionitrile 364.17
    vinylene carbonate 405.8
    1,1,2-trichlorotrifluoroethane 527.77
    DMS 201.46
    cumene 80.3
    2-octanol 79.14
    2-hexanone 179.42
    octyl acetate 112.96
    limonene 93.75
    1,2-dimethoxyethane 412.5
    ethyl orthosilicate 76.93
    tributyl phosphate 87.78
    diacetone alcohol 211.39
    N,N-dimethylaniline 155.53
    acrylonitrile 550.14
    aniline 338.68
    1,3-propanediol 319.37
    bromobenzene 504.28
    dibromomethane 861.92
    1,1,2,2-tetrachloroethane 923.93
    2-methyl-cyclohexyl acetate 122.17
    tetrabutyl urea 113.13
    diisobutyl methanol 68.74
    2-phenylethanol 198.14
    styrene 154.23
    dioctyl adipate 121.76
    dimethyl sulfate 223.79
    ethyl butyrate 132.34
    methyl lactate 166.08
    butyl lactate 138.93
    diethyl carbonate 98.71
    propanediol butyl ether 244.34
    triethyl orthoformate 96.04
    p-tert-butyltoluene 67.22
    methyl 4-tert-butylbenzoate 180.2
    morpholine 579.88
    tert-butylamine 167.99
    n-dodecanol 55.84
    dimethoxymethane 300.52
    ethylene carbonate 289.69
    cyrene 191.18
    2-ethoxyethyl acetate 223.48
    2-ethylhexyl acetate 128.82
    1,2,4-trichlorobenzene 456.91
    4-methylpyridine 585.07
    dibutyl ether 128.03
    2,6-dimethyl-4-heptanol 68.74
    DEF 345.73
    dimethyl isosorbide 308.71
    tetrachloroethylene 648.6
    eugenol 203.75
    triacetin 219.37
    span 80 181.01
    1,4-butanediol 162.81
    1,1-dichloroethane 647.03
    2-methyl-1-pentanol 172.18
    methyl formate 359.82
    2-methyl-1-butanol 212.65
    n-decane 19.14
    butyronitrile 340.38
    3,7-dimethyl-1-octanol 113.75
    1-chlorooctane 89.67
    1-chlorotetradecane 35.59
    n-nonane 18.45
    undecane 14.9
    tert-butylcyclohexane 29.62
    cyclooctane 13.36
    cyclopentanol 311.56
    tetrahydropyran 398.69
    tert-amyl methyl ether 145.4
    2,5,8-trioxanonane 330.47
    1-hexene 100.69
    2-isopropoxyethanol 200.18
    2,2,2-trifluoroethanol 227.88
    methyl butyrate 207.06

    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