Hydroxy methylphenylpyridinone

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  • Identifiers

    CAS number
    49744-73-2

    Molecular formula
    C12H11NO2

    SMILES
    CC1=C(C(=O)C=CN1C2=CC=CC=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 41.7%
    Fruity 41.5%
    Burnt 39.95%
    Sweet 32.71%
    Odorless 29.3%
    Bitter 29.05%
    Vanilla 27.62%
    Caramellic 24.33%
    Powdery 23.73%
    Animal 23.16%

     

    Flavor
    Bitter 85.96%
    Sweet 25.39%
    Fruity 24.29%
    Mild 22.97%
    Orange flower 21.12%
    Very strong 21.09%
    Indole 20.78%
    Curry 20.47%
    Nitrile 20.46%
    Orange blossom 20.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.38 (neutral)

    Molecular weight
    201.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    453°C

    Flash point

    • 167.31 ˚C est.

  • Synonyms

    • Hydroxy methylphenylpyridinone
    • CP 84
    • 1-Phenyl-2-methyl-3-hydroxy-4-pyridone
    • UNII-788LMR127V
    • 3-Hydroxy-2-methyl-1-phenyl-4(1H)-pyridinone
    • 788LMR127V
    • 3-Hydroxy-2-methyl-1-phenyl-4-pyridinone
    • 49744-73-2
    • 4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-phenyl-
    • DTXSID10198008
    • RefChem:147114
    • DTXCID00120499
    • HYDROXY METHYLPHENYLPYRIDINONE [INCI]
    • CHEMBL326815
    • SCHEMBL4248794
    • KUC106674N
    • BDBM50086229
    • KSC-10-220
    • 3-Hydroxy-2-methyl-1-phenylpyridin-4(1H)-one
    • Q27266653
    • 49744-73-2

  • Applications

    Hydroxy methylphenylpyridinone, CAS 49744-73-2, is primarily viewed as an intermediate in organic synthesis to access pyridinone-based scaffolds and may act as a ligand or chelating agent in metal-catalyzed processes; it is evaluated as a building block for pharmaceutical and agrochemical syntheses; in the plastics and coatings sectors it may serve as a precursor for polymer formulations or as a functional additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.92
    methanol 108.55
    isopropanol 50.13
    water 0.49
    ethyl acetate 165.64
    n-propanol 59.99
    acetone 250.68
    n-butanol 44.22
    acetonitrile 133.97
    DMF 356.4
    toluene 65.28
    isobutanol 39.56
    1,4-dioxane 204.29
    methyl acetate 153.3
    THF 345.71
    2-butanone 200.0
    n-pentanol 36.3
    sec-butanol 48.25
    n-hexane 1.08
    ethylene glycol 33.13
    NMP 235.47
    cyclohexane 2.03
    DMSO 849.5
    n-butyl acetate 118.5
    n-octanol 16.82
    chloroform 130.92
    n-propyl acetate 100.81
    acetic acid 137.13
    dichloromethane 321.33
    cyclohexanone 229.19
    propylene glycol 22.58
    isopropyl acetate 72.04
    DMAc 273.3
    2-ethoxyethanol 136.04
    isopentanol 48.55
    n-heptane 2.06
    ethyl formate 109.69
    1,2-dichloroethane 331.15
    n-hexanol 43.34
    2-methoxyethanol 210.15
    isobutyl acetate 40.44
    tetrachloromethane 15.06
    n-pentyl acetate 53.29
    transcutol 554.49
    n-heptanol 23.43
    ethylbenzene 31.77
    MIBK 67.87
    2-propoxyethanol 109.03
    tert-butanol 87.57
    MTBE 68.08
    2-butoxyethanol 68.26
    propionic acid 82.12
    o-xylene 43.78
    formic acid 115.49
    diethyl ether 75.93
    m-xylene 39.33
    p-xylene 38.0
    chlorobenzene 87.34
    dimethyl carbonate 72.66
    n-octane 0.92
    formamide 419.09
    cyclopentanone 349.02
    2-pentanone 138.05
    anisole 85.16
    cyclopentyl methyl ether 105.3
    gamma-butyrolactone 418.16
    1-methoxy-2-propanol 116.98
    pyridine 234.47
    3-pentanone 109.42
    furfural 350.31
    n-dodecane 0.94
    diethylene glycol 113.03
    diisopropyl ether 18.05
    tert-amyl alcohol 74.18
    acetylacetone 177.46
    n-hexadecane 1.1
    acetophenone 96.86
    methyl propionate 140.27
    isopentyl acetate 84.78
    trichloroethylene 479.4
    n-nonanol 16.99
    cyclohexanol 47.12
    benzyl alcohol 75.87
    2-ethylhexanol 29.29
    isooctanol 21.17
    dipropyl ether 33.86
    1,2-dichlorobenzene 77.08
    ethyl lactate 45.33
    propylene carbonate 163.76
    n-methylformamide 245.42
    2-pentanol 31.08
    n-pentane 1.12
    1-propoxy-2-propanol 75.29
    1-methoxy-2-propyl acetate 105.95
    2-(2-methoxypropoxy) propanol 74.17
    mesitylene 20.37
    ε-caprolactone 175.21
    p-cymene 21.35
    epichlorohydrin 559.2
    1,1,1-trichloroethane 101.14
    2-aminoethanol 51.65
    morpholine-4-carbaldehyde 242.99
    sulfolane 479.77
    2,2,4-trimethylpentane 2.0
    2-methyltetrahydrofuran 190.42
    n-hexyl acetate 62.72
    isooctane 1.47
    2-(2-butoxyethoxy)ethanol 108.18
    sec-butyl acetate 53.38
    tert-butyl acetate 79.46
    decalin 2.76
    glycerin 58.07
    diglyme 245.14
    acrylic acid 94.65
    isopropyl myristate 20.92
    n-butyric acid 94.1
    acetyl acetate 80.15
    di(2-ethylhexyl) phthalate 26.08
    ethyl propionate 81.51
    nitromethane 444.09
    1,2-diethoxyethane 113.59
    benzonitrile 97.06
    trioctyl phosphate 17.83
    1-bromopropane 66.46
    gamma-valerolactone 360.07
    n-decanol 12.89
    triethyl phosphate 36.69
    4-methyl-2-pentanol 23.03
    propionitrile 88.67
    vinylene carbonate 145.53
    1,1,2-trichlorotrifluoroethane 212.95
    DMS 82.33
    cumene 20.44
    2-octanol 15.31
    2-hexanone 89.37
    octyl acetate 28.73
    limonene 26.35
    1,2-dimethoxyethane 217.76
    ethyl orthosilicate 33.12
    tributyl phosphate 24.19
    diacetone alcohol 106.07
    N,N-dimethylaniline 48.55
    acrylonitrile 151.72
    aniline 93.13
    1,3-propanediol 76.82
    bromobenzene 81.7
    dibromomethane 142.38
    1,1,2,2-tetrachloroethane 272.51
    2-methyl-cyclohexyl acetate 49.85
    tetrabutyl urea 32.99
    diisobutyl methanol 18.8
    2-phenylethanol 67.01
    styrene 36.31
    dioctyl adipate 36.02
    dimethyl sulfate 152.73
    ethyl butyrate 71.41
    methyl lactate 62.45
    butyl lactate 46.45
    diethyl carbonate 53.12
    propanediol butyl ether 59.61
    triethyl orthoformate 44.47
    p-tert-butyltoluene 19.04
    methyl 4-tert-butylbenzoate 63.78
    morpholine 222.07
    tert-butylamine 37.28
    n-dodecanol 9.84
    dimethoxymethane 201.55
    ethylene carbonate 112.01
    cyrene 79.73
    2-ethoxyethyl acetate 106.0
    2-ethylhexyl acetate 64.58
    1,2,4-trichlorobenzene 94.74
    4-methylpyridine 181.43
    dibutyl ether 25.42
    2,6-dimethyl-4-heptanol 18.8
    DEF 142.5
    dimethyl isosorbide 134.86
    tetrachloroethylene 174.31
    eugenol 67.26
    triacetin 73.61
    span 80 46.6
    1,4-butanediol 31.28
    1,1-dichloroethane 139.5
    2-methyl-1-pentanol 39.51
    methyl formate 196.29
    2-methyl-1-butanol 43.07
    n-decane 1.4
    butyronitrile 73.54
    3,7-dimethyl-1-octanol 21.04
    1-chlorooctane 11.21
    1-chlorotetradecane 4.37
    n-nonane 1.1
    undecane 1.15
    tert-butylcyclohexane 2.7
    cyclooctane 0.94
    cyclopentanol 59.33
    tetrahydropyran 149.12
    tert-amyl methyl ether 54.3
    2,5,8-trioxanonane 140.25
    1-hexene 9.34
    2-isopropoxyethanol 84.83
    2,2,2-trifluoroethanol 73.19
    methyl butyrate 112.1

    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