5-Methoxy-3,6-bis(phenylmethyl)-2(1H)-pyrazinone

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  • Identifiers

    CAS number
    132213-65-1

    Molecular formula
    C19H18N2O2

    SMILES
    COC1=C(NC(=O)C(=N1)CC2=CC=CC=C2)CC3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Fruity 51.04%
    Floral 44.89%
    Honey 32.85%
    Grape 30.39%
    Neroli 26.81%
    Animal 25.66%
    Fresh 24.55%
    Rose 24.4%
    Sweet 24.16%
    Green 22.26%

     

    Flavor
    Bitter 64.75%
    Fruity 29.58%
    Green 27.13%
    Floral 23.42%
    Waxy 22.01%
    Mild 20.76%
    Butyric 20.11%
    Balsam 19.86%
    Rosy 19.86%
    Nitrile 19.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.92 (neutral)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    601°C

    Melting point expt.

    • 159 - 161 °C

    Flash point

    • 226.73 ˚C est.

  • Synonyms

    • 132213-65-1
    • 3,6-Dibenzyl-2-hydroxy-5-methoxypyrazine
    • 3,6-dibenzyl-5-methoxy-1H-pyrazin-2-one
    • L7EJN54CWT
    • 5-Methoxy-3,6-bis(phenylmethyl)-2(1H)-pyrazinone
    • DTXSID801238175
    • RefChem:913499
    • DTXCID901669094
    • 2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine
    • 2(1H)-Pyrazinone, 5-methoxy-3,6-bis(phenylmethyl)-
    • 3,6-Dibenzyl-5-methoxypyrazin-2-ol
    • 3,6-DBHM-pyrazine
    • starbld0026203
    • orb1683636
    • CHEBI:174933
    • HFA21365
    • AKOS040761076
    • 3,6-Dibenzyl-5-methoxypyrazin-2(1H)-one
    • H62704
    • 5-Methoxy-3,6-bis(phenylmethyl)-2(1H)-pyrazinone, 9CI
    • 132213-65-1

  • Applications

    5-Methoxy-3,6-bis(phenylmethyl)-2(1H)-pyrazinone (CAS 132213-65-1) is primarily employed as an intermediate in chemical and pharmaceutical research, providing a versatile scaffold for the synthesis of pyrazinone-containing heterocycles with potential biological activity. In practice, it is frequently evaluated for medicinal chemistry applications, supporting small-molecule libraries in early drug-discovery programs. It is also explored as a precursor in agrochemical research for the development of heterocyclic active ingredients. Additionally, the compound serves as a synthetic intermediate in libraries of heteroaromatic compounds for screening and lead-optimization efforts. Depending on formulation goals, it may also be used as a starting material in materials science or coatings-related work, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.19
    methanol 30.08
    isopropanol 7.7
    water 0.14
    ethyl acetate 47.9
    n-propanol 13.95
    acetone 63.86
    n-butanol 12.04
    acetonitrile 26.87
    DMF 193.16
    toluene 23.64
    isobutanol 9.81
    1,4-dioxane 29.67
    methyl acetate 55.47
    THF 117.2
    2-butanone 64.58
    n-pentanol 11.01
    sec-butanol 9.66
    n-hexane 0.34
    ethylene glycol 8.71
    NMP 95.98
    cyclohexane 0.44
    DMSO 135.75
    n-butyl acetate 19.52
    n-octanol 2.93
    chloroform 125.49
    n-propyl acetate 21.61
    acetic acid 58.97
    dichloromethane 185.43
    cyclohexanone 65.54
    propylene glycol 9.22
    isopropyl acetate 26.12
    DMAc 274.9
    2-ethoxyethanol 35.7
    isopentanol 13.34
    n-heptane 0.56
    ethyl formate 27.97
    1,2-dichloroethane 137.97
    n-hexanol 9.64
    2-methoxyethanol 64.07
    isobutyl acetate 12.97
    tetrachloromethane 4.53
    n-pentyl acetate 12.22
    transcutol 109.44
    n-heptanol 6.09
    ethylbenzene 8.57
    MIBK 24.63
    2-propoxyethanol 34.46
    tert-butanol 10.25
    MTBE 11.09
    2-butoxyethanol 22.16
    propionic acid 30.35
    o-xylene 10.97
    formic acid 43.42
    diethyl ether 16.2
    m-xylene 11.4
    p-xylene 10.43
    chlorobenzene 39.31
    dimethyl carbonate 54.11
    n-octane 0.3
    formamide 107.65
    cyclopentanone 117.44
    2-pentanone 43.85
    anisole 20.93
    cyclopentyl methyl ether 32.85
    gamma-butyrolactone 131.84
    1-methoxy-2-propanol 39.12
    pyridine 82.9
    3-pentanone 43.42
    furfural 120.91
    n-dodecane 0.28
    diethylene glycol 34.62
    diisopropyl ether 3.9
    tert-amyl alcohol 11.77
    acetylacetone 78.44
    n-hexadecane 0.32
    acetophenone 31.97
    methyl propionate 63.16
    isopentyl acetate 19.83
    trichloroethylene 269.82
    n-nonanol 3.77
    cyclohexanol 11.71
    benzyl alcohol 24.97
    2-ethylhexanol 6.79
    isooctanol 5.84
    dipropyl ether 9.14
    1,2-dichlorobenzene 36.06
    ethyl lactate 18.31
    propylene carbonate 53.51
    n-methylformamide 71.98
    2-pentanol 7.71
    n-pentane 0.34
    1-propoxy-2-propanol 20.75
    1-methoxy-2-propyl acetate 36.34
    2-(2-methoxypropoxy) propanol 24.06
    mesitylene 5.03
    ε-caprolactone 50.86
    p-cymene 5.47
    epichlorohydrin 207.8
    1,1,1-trichloroethane 36.53
    2-aminoethanol 15.53
    morpholine-4-carbaldehyde 85.22
    sulfolane 138.03
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 37.87
    n-hexyl acetate 11.97
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 31.04
    sec-butyl acetate 15.75
    tert-butyl acetate 23.15
    decalin 0.68
    glycerin 22.47
    diglyme 70.96
    acrylic acid 42.13
    isopropyl myristate 5.7
    n-butyric acid 35.06
    acetyl acetate 36.21
    di(2-ethylhexyl) phthalate 9.9
    ethyl propionate 23.17
    nitromethane 168.79
    1,2-diethoxyethane 23.09
    benzonitrile 27.63
    trioctyl phosphate 5.71
    1-bromopropane 26.87
    gamma-valerolactone 122.86
    n-decanol 3.07
    triethyl phosphate 13.48
    4-methyl-2-pentanol 6.41
    propionitrile 26.15
    vinylene carbonate 58.26
    1,1,2-trichlorotrifluoroethane 110.51
    DMS 31.22
    cumene 5.17
    2-octanol 3.17
    2-hexanone 20.74
    octyl acetate 7.44
    limonene 6.52
    1,2-dimethoxyethane 54.4
    ethyl orthosilicate 12.29
    tributyl phosphate 7.41
    diacetone alcohol 33.79
    N,N-dimethylaniline 14.67
    acrylonitrile 52.03
    aniline 32.81
    1,3-propanediol 20.9
    bromobenzene 36.29
    dibromomethane 76.57
    1,1,2,2-tetrachloroethane 157.59
    2-methyl-cyclohexyl acetate 15.61
    tetrabutyl urea 10.81
    diisobutyl methanol 5.12
    2-phenylethanol 21.88
    styrene 11.04
    dioctyl adipate 11.97
    dimethyl sulfate 90.98
    ethyl butyrate 17.85
    methyl lactate 37.11
    butyl lactate 14.62
    diethyl carbonate 15.76
    propanediol butyl ether 14.14
    triethyl orthoformate 14.83
    p-tert-butyltoluene 4.87
    methyl 4-tert-butylbenzoate 23.69
    morpholine 42.81
    tert-butylamine 4.66
    n-dodecanol 2.5
    dimethoxymethane 108.07
    ethylene carbonate 40.81
    cyrene 31.69
    2-ethoxyethyl acetate 28.15
    2-ethylhexyl acetate 14.75
    1,2,4-trichlorobenzene 43.61
    4-methylpyridine 60.8
    dibutyl ether 5.39
    2,6-dimethyl-4-heptanol 5.12
    DEF 59.91
    dimethyl isosorbide 47.0
    tetrachloroethylene 84.94
    eugenol 25.39
    triacetin 24.31
    span 80 15.55
    1,4-butanediol 9.6
    1,1-dichloroethane 56.49
    2-methyl-1-pentanol 12.12
    methyl formate 65.43
    2-methyl-1-butanol 13.02
    n-decane 0.4
    butyronitrile 18.69
    3,7-dimethyl-1-octanol 4.93
    1-chlorooctane 2.21
    1-chlorotetradecane 1.18
    n-nonane 0.31
    undecane 0.33
    tert-butylcyclohexane 0.6
    cyclooctane 0.21
    cyclopentanol 14.09
    tetrahydropyran 26.14
    tert-amyl methyl ether 12.13
    2,5,8-trioxanonane 47.11
    1-hexene 2.77
    2-isopropoxyethanol 22.97
    2,2,2-trifluoroethanol 31.89
    methyl butyrate 28.32

    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