6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone

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  • Identifiers

    CAS number
    214218-63-0

    Molecular formula
    C8H11NO3

    SMILES
    CC(=O)C1=CC(=O)CC(N1)CO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 54.76%
    Caramellic 48.34%
    Nutty 44.97%
    Roasted 37.32%
    Popcorn 35.34%
    Odorless 32.48%
    Burnt 32.34%
    Buttery 29.86%
    Savory 22.73%
    Creamy 17.68%

     

    Flavor
    Bitter 39.66%
    Odorless 30.18%
    Nutty 25.78%
    Very mild 25.22%
    Roasted 23.93%
    Taco 21.3%
    Cooked 21.08%
    Bread crust 20.64%
    Bread 20.31%
    Roasted peanuts 20.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    7.05 (neutral)

    Molecular weight
    169.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    532°C

    Flash point

    • 174.49 ˚C est.

  • Synonyms

    • 6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone
    • 214218-63-0
    • 6-acetyl-2-(hydroxymethyl)-1,2,3,4-tetrahydropyridin-4-one
    • RefChem:104140
    • CHEBI:173464
    • DTXSID701203812
    • DB-283351
    • 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one
    • 6-Acetyl-2-(hydroxymethyl)-2,3-dihydropyridin-4(1H)-one
    • 4(1H)-PYRIDINONE, 6-ACETYL-2,3-DIHYDRO-2-(HYDROXYMETHYL)-
    • 214218-63-0

  • Applications

    6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone (CAS 214218-63-0) is primarily used as an intermediate and building block in pharmaceutical and agrochemical synthesis, typically employed in research and development to access a range of pyridinone derivatives; it also serves as a precursor for functionalization chemistry to generate complex heterocyclic compounds for activity screening; in organic synthesis, it provides a versatile platform for modifying the hydroxymethyl and acetyl groups to access diverse heterocycles; in addition, it can serve as a starting point for specialty polymers and pyridinone-based coatings and inks, subject to formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.77
    methanol 63.23
    isopropanol 10.15
    water 128.55
    ethyl acetate 5.51
    n-propanol 11.29
    acetone 11.08
    n-butanol 8.47
    acetonitrile 9.49
    DMF 189.93
    toluene 1.2
    isobutanol 7.51
    1,4-dioxane 19.44
    methyl acetate 5.6
    THF 17.06
    2-butanone 6.12
    n-pentanol 7.15
    sec-butanol 6.21
    n-hexane 0.17
    ethylene glycol 60.22
    NMP 130.34
    cyclohexane 0.32
    DMSO 259.73
    n-butyl acetate 3.49
    n-octanol 4.82
    chloroform 4.87
    n-propyl acetate 3.57
    acetic acid 25.25
    dichloromethane 10.53
    cyclohexanone 17.19
    propylene glycol 30.82
    isopropyl acetate 3.17
    DMAc 161.24
    2-ethoxyethanol 33.34
    isopentanol 7.28
    n-heptane 0.37
    ethyl formate 16.56
    1,2-dichloroethane 6.18
    n-hexanol 6.53
    2-methoxyethanol 75.59
    isobutyl acetate 2.33
    tetrachloromethane 1.22
    n-pentyl acetate 3.17
    transcutol 25.41
    n-heptanol 5.19
    ethylbenzene 1.79
    MIBK 4.44
    2-propoxyethanol 27.81
    tert-butanol 9.92
    MTBE 2.18
    2-butoxyethanol 15.84
    propionic acid 14.21
    o-xylene 2.67
    formic acid 100.69
    diethyl ether 1.89
    m-xylene 2.33
    p-xylene 2.25
    chlorobenzene 2.76
    dimethyl carbonate 7.45
    n-octane 0.27
    formamide 83.92
    cyclopentanone 23.97
    2-pentanone 5.26
    anisole 6.08
    cyclopentyl methyl ether 5.18
    gamma-butyrolactone 36.8
    1-methoxy-2-propanol 36.4
    pyridine 9.72
    3-pentanone 3.8
    furfural 57.84
    n-dodecane 0.28
    diethylene glycol 53.95
    diisopropyl ether 0.77
    tert-amyl alcohol 6.89
    acetylacetone 10.94
    n-hexadecane 0.31
    acetophenone 10.35
    methyl propionate 7.96
    isopentyl acetate 4.02
    trichloroethylene 9.38
    n-nonanol 4.55
    cyclohexanol 6.35
    benzyl alcohol 12.71
    2-ethylhexanol 4.21
    isooctanol 4.49
    dipropyl ether 2.43
    1,2-dichlorobenzene 4.48
    ethyl lactate 11.01
    propylene carbonate 20.35
    n-methylformamide 71.46
    2-pentanol 3.53
    n-pentane 0.17
    1-propoxy-2-propanol 14.46
    1-methoxy-2-propyl acetate 9.48
    2-(2-methoxypropoxy) propanol 17.84
    mesitylene 1.8
    ε-caprolactone 18.19
    p-cymene 2.31
    epichlorohydrin 27.7
    1,1,1-trichloroethane 2.37
    2-aminoethanol 48.91
    morpholine-4-carbaldehyde 98.62
    sulfolane 79.16
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 7.64
    n-hexyl acetate 4.95
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 19.46
    sec-butyl acetate 2.36
    tert-butyl acetate 3.72
    decalin 0.37
    glycerin 74.97
    diglyme 32.68
    acrylic acid 21.47
    isopropyl myristate 2.6
    n-butyric acid 14.1
    acetyl acetate 5.11
    di(2-ethylhexyl) phthalate 6.93
    ethyl propionate 4.44
    nitromethane 44.01
    1,2-diethoxyethane 4.71
    benzonitrile 10.3
    trioctyl phosphate 5.06
    1-bromopropane 1.94
    gamma-valerolactone 52.75
    n-decanol 3.6
    triethyl phosphate 5.59
    4-methyl-2-pentanol 2.96
    propionitrile 6.75
    vinylene carbonate 22.56
    1,1,2-trichlorotrifluoroethane 44.02
    DMS 6.69
    cumene 1.95
    2-octanol 2.84
    2-hexanone 4.18
    octyl acetate 3.86
    limonene 2.65
    1,2-dimethoxyethane 33.88
    ethyl orthosilicate 4.63
    tributyl phosphate 4.73
    diacetone alcohol 13.26
    N,N-dimethylaniline 7.63
    acrylonitrile 15.2
    aniline 4.95
    1,3-propanediol 38.21
    bromobenzene 2.04
    dibromomethane 4.18
    1,1,2,2-tetrachloroethane 8.03
    2-methyl-cyclohexyl acetate 6.04
    tetrabutyl urea 9.0
    diisobutyl methanol 2.79
    2-phenylethanol 10.45
    styrene 1.67
    dioctyl adipate 5.82
    dimethyl sulfate 27.08
    ethyl butyrate 4.59
    methyl lactate 22.13
    butyl lactate 7.73
    diethyl carbonate 4.37
    propanediol butyl ether 16.65
    triethyl orthoformate 4.57
    p-tert-butyltoluene 1.88
    methyl 4-tert-butylbenzoate 12.39
    morpholine 23.4
    tert-butylamine 3.44
    n-dodecanol 2.81
    dimethoxymethane 32.14
    ethylene carbonate 15.69
    cyrene 34.42
    2-ethoxyethyl acetate 5.98
    2-ethylhexyl acetate 3.09
    1,2,4-trichlorobenzene 5.46
    4-methylpyridine 10.41
    dibutyl ether 2.09
    2,6-dimethyl-4-heptanol 2.79
    DEF 24.34
    dimethyl isosorbide 27.74
    tetrachloroethylene 5.54
    eugenol 16.89
    triacetin 8.61
    span 80 14.51
    1,4-butanediol 24.02
    1,1-dichloroethane 2.59
    2-methyl-1-pentanol 6.31
    methyl formate 53.05
    2-methyl-1-butanol 6.88
    n-decane 0.39
    butyronitrile 7.2
    3,7-dimethyl-1-octanol 4.78
    1-chlorooctane 1.49
    1-chlorotetradecane 0.79
    n-nonane 0.34
    undecane 0.32
    tert-butylcyclohexane 0.33
    cyclooctane 0.22
    cyclopentanol 9.64
    tetrahydropyran 4.74
    tert-amyl methyl ether 2.54
    2,5,8-trioxanonane 29.8
    1-hexene 0.65
    2-isopropoxyethanol 15.87
    2,2,2-trifluoroethanol 24.77
    methyl butyrate 7.58

    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