4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride (1:1)

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  • Identifiers

    CAS number
    33973-59-0

    Molecular formula
    C9H18ClNO

    SMILES
    CC1(CC(=O)CC(N1)(C)C)C.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 49.55%
    Mint 39.26%
    Camphoreous 36.8%
    Sweet 35.16%
    Earthy 34.72%
    Herbal 33.26%
    Cooling 32.14%
    Musty 32.08%
    Fresh 29.95%
    Tobacco 28.06%

     

    Flavor
    Green 50.4%
    Woody 49.04%
    Sweet 40.44%
    Minty 37.12%
    Camphor 35.17%
    Herbal 35.11%
    Earthy 35.1%
    Fruity 35.08%
    Tobacco 31.75%
    Musty 31.62%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.76 (neutral)

    Molecular weight
    191.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point

    • 74.81 ˚C est.

  • Synonyms

    • 33973-59-0
    • 2,2,6,6-Tetramethylpiperidin-4-one hydrochloride
    • 4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride
    • 2,2,6,6-Tetramethyl-4-piperidone, hydrochloride
    • EINECS 251-769-6
    • DTXSID9067803
    • 4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride (1:1)
    • RefChem:100404
    • DTXCID3038771
    • 251-769-6
    • Triacetonamine Hydrochloride
    • 2,2,6,6-Tetramethyl-4-piperidone hydrochloride
    • Triacetonamine (hydrochloride)
    • 2,2,6,6-tetramethylpiperidin-4-one;hydrochloride
    • MFCD00012768
    • 2,2,6,6-Tetramethyl-4-piperidinone hydrochloride
    • 2,2,6,6-Tetramethyl-4-piperidone (hydrochloride)
    • 2,2,6,6-tetramethylpiperidin-4-one, chloride
    • 2,2,6,6-Tetramethyl-4-piperidone HCl
    • TriacetonamineHydrochloride
    • WF9ZYV3UY7
    • orb1680231
    • SCHEMBL5218604
    • HY-N1131A
    • SBB003626
    • AKOS015999069
    • DS-18523
    • SY106857
    • DB-048538
    • CS-0016420
    • NS00087496
    • ST50997607
    • T1147
    • 2,2,6,6-Tetramethyl-4-piperidonium chloride
    • A10298
    • 2,2,6,6-tetramethylpiperidin-4-one,hydrochloride
    • A822028
    • F210141
    • 2,2,6,6-Tetramethyl-4-oxopiperidine hydrochloride
    • 2,2,6,6-Tetramethyl-4-azacyclohexanone Hydrochloride
    • 2,2,6,6-Tetramethyl-4-piperidone hydrochloride, 98%
    • 2,2,6,6-Tetramethylpiperidin-4-one--hydrogen chloride (1/1)
    • 2,2,6,6-tetramethylpiperidin-1-ium-4-one;Triacetonamine Hydrochloride
    • 33973-59-0

  • Applications

    4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride (1:1) is primarily used as a synthetic intermediate and chiral-building block in medicinal chemistry, enabling the preparation of piperidine-containing pharmaceuticals and related heterocycles. In drug discovery, it serves as a scaffold for structure-activity relationship (SAR) exploration and can be derivatized through common transformations (reductions, acylations, or condensations) to access a range of amine- or amide-functionalized compounds. The hydrochloride salt form improves handling and aqueous solubility, making it suitable for formulation studies and high-throughput screening in pharmaceutical research. Additionally, it can be used as a starting material to prepare further piperidinone-derived derivatives and related heterocyclic compounds for specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 150.68
    methanol 307.77
    isopropanol 109.41
    water 48.49
    ethyl acetate 259.35
    n-propanol 158.93
    acetone 216.68
    n-butanol 120.31
    acetonitrile 199.62
    DMF 267.93
    toluene 135.27
    isobutanol 125.26
    1,4-dioxane 224.54
    methyl acetate 309.63
    THF 400.6
    2-butanone 207.64
    n-pentanol 72.72
    sec-butanol 132.11
    n-hexane 55.98
    ethylene glycol 112.08
    NMP 655.17
    cyclohexane 76.8
    DMSO 135.08
    n-butyl acetate 187.36
    n-octanol 116.1
    chloroform 473.71
    n-propyl acetate 126.14
    acetic acid 502.73
    dichloromethane 311.48
    cyclohexanone 335.19
    propylene glycol 142.0
    isopropyl acetate 157.14
    DMAc 418.67
    2-ethoxyethanol 93.07
    isopentanol 83.58
    n-heptane 56.84
    ethyl formate 194.7
    1,2-dichloroethane 167.63
    n-hexanol 203.76
    2-methoxyethanol 206.23
    isobutyl acetate 99.97
    tetrachloromethane 124.25
    n-pentyl acetate 121.06
    transcutol 251.88
    n-heptanol 86.27
    ethylbenzene 66.81
    MIBK 93.25
    2-propoxyethanol 262.05
    tert-butanol 130.21
    MTBE 131.98
    2-butoxyethanol 107.97
    propionic acid 376.25
    o-xylene 122.19
    formic acid 275.77
    diethyl ether 140.73
    m-xylene 120.89
    p-xylene 91.54
    chlorobenzene 155.1
    dimethyl carbonate 134.98
    n-octane 21.89
    formamide 140.01
    cyclopentanone 371.3
    2-pentanone 144.73
    anisole 100.73
    cyclopentyl methyl ether 255.34
    gamma-butyrolactone 575.79
    1-methoxy-2-propanol 143.09
    pyridine 203.05
    3-pentanone 179.71
    furfural 383.4
    n-dodecane 16.32
    diethylene glycol 184.91
    diisopropyl ether 63.25
    tert-amyl alcohol 142.27
    acetylacetone 202.69
    n-hexadecane 17.8
    acetophenone 120.95
    methyl propionate 255.53
    isopentyl acetate 158.32
    trichloroethylene 364.0
    n-nonanol 94.41
    cyclohexanol 196.46
    benzyl alcohol 95.38
    2-ethylhexanol 129.3
    isooctanol 64.78
    dipropyl ether 117.35
    1,2-dichlorobenzene 144.94
    ethyl lactate 103.55
    propylene carbonate 357.77
    n-methylformamide 232.08
    2-pentanol 89.67
    n-pentane 50.15
    1-propoxy-2-propanol 179.26
    1-methoxy-2-propyl acetate 212.97
    2-(2-methoxypropoxy) propanol 124.52
    mesitylene 81.02
    ε-caprolactone 381.81
    p-cymene 71.53
    epichlorohydrin 309.67
    1,1,1-trichloroethane 267.27
    2-aminoethanol 141.87
    morpholine-4-carbaldehyde 359.15
    sulfolane 452.03
    2,2,4-trimethylpentane 31.55
    2-methyltetrahydrofuran 325.64
    n-hexyl acetate 206.75
    isooctane 18.37
    2-(2-butoxyethoxy)ethanol 131.54
    sec-butyl acetate 100.52
    tert-butyl acetate 150.06
    decalin 37.12
    glycerin 176.33
    diglyme 190.57
    acrylic acid 362.78
    isopropyl myristate 68.0
    n-butyric acid 308.15
    acetyl acetate 246.32
    di(2-ethylhexyl) phthalate 83.21
    ethyl propionate 143.03
    nitromethane 509.23
    1,2-diethoxyethane 94.99
    benzonitrile 133.21
    trioctyl phosphate 61.49
    1-bromopropane 139.49
    gamma-valerolactone 419.05
    n-decanol 67.83
    triethyl phosphate 82.91
    4-methyl-2-pentanol 55.37
    propionitrile 155.04
    vinylene carbonate 311.75
    1,1,2-trichlorotrifluoroethane 323.8
    DMS 209.34
    cumene 55.94
    2-octanol 70.3
    2-hexanone 97.27
    octyl acetate 96.81
    limonene 114.26
    1,2-dimethoxyethane 126.76
    ethyl orthosilicate 78.25
    tributyl phosphate 77.32
    diacetone alcohol 140.55
    N,N-dimethylaniline 84.25
    acrylonitrile 185.22
    aniline 150.42
    1,3-propanediol 122.71
    bromobenzene 140.31
    dibromomethane 237.7
    1,1,2,2-tetrachloroethane 303.27
    2-methyl-cyclohexyl acetate 128.65
    tetrabutyl urea 87.74
    diisobutyl methanol 58.79
    2-phenylethanol 136.38
    styrene 68.14
    dioctyl adipate 95.32
    dimethyl sulfate 201.79
    ethyl butyrate 128.19
    methyl lactate 158.52
    butyl lactate 112.56
    diethyl carbonate 97.25
    propanediol butyl ether 124.71
    triethyl orthoformate 102.25
    p-tert-butyltoluene 73.34
    methyl 4-tert-butylbenzoate 144.95
    morpholine 242.7
    tert-butylamine 97.62
    n-dodecanol 52.26
    dimethoxymethane 170.79
    ethylene carbonate 262.83
    cyrene 131.09
    2-ethoxyethyl acetate 153.16
    2-ethylhexyl acetate 147.02
    1,2,4-trichlorobenzene 193.28
    4-methylpyridine 241.96
    dibutyl ether 87.14
    2,6-dimethyl-4-heptanol 58.79
    DEF 201.84
    dimethyl isosorbide 204.9
    tetrachloroethylene 239.11
    eugenol 115.07
    triacetin 199.98
    span 80 127.93
    1,4-butanediol 59.62
    1,1-dichloroethane 220.37
    2-methyl-1-pentanol 63.99
    methyl formate 228.1
    2-methyl-1-butanol 108.06
    n-decane 30.06
    butyronitrile 123.37
    3,7-dimethyl-1-octanol 92.31
    1-chlorooctane 82.3
    1-chlorotetradecane 31.91
    n-nonane 32.55
    undecane 21.18
    tert-butylcyclohexane 38.03
    cyclooctane 38.51
    cyclopentanol 223.52
    tetrahydropyran 241.12
    tert-amyl methyl ether 137.89
    2,5,8-trioxanonane 144.8
    1-hexene 87.25
    2-isopropoxyethanol 74.14
    2,2,2-trifluoroethanol 286.08
    methyl butyrate 160.55

    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