2-Methoxy-(3,5 or 6)-methylpyrazine

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  • Identifiers

    CAS number
    63450-30-6

    Molecular formula
    C6H8N2O

    SMILES
    COCC1=NC=CN=C1

  • Odor profile

    Fragrance
    Nutty 80.66%
    Green 71.98%
    Roasted 66.62%
    Earthy 65.61%
    Hazelnut 49.3%
    Potato 48.45%
    Musty 47.35%
    Almond 47.32%
    Cocoa 43.64%
    Vegetable 41.55%

     

    Flavor
    Nutty 62.15%
    Coffee 49.56%
    Roasted 49.45%
    Earthy 38.31%
    Roast 36.47%
    Vegetable 36.02%
    Potato 34.32%
    Cocoa 32.95%
    Chocolate 32.63%
    Musty 32.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    2.38 (strong acid)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 87.4 ˚C est.

    Solubility expt.

    • soluble in water, organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Pyrazine, methoxymethyl-
    • 2-(methoxymethyl)pyrazine
    • 63450-30-6
    • Methylmethoxypyrazine
    • UNII-457UQ35J2T
    • DTXSID1069827
    • 457UQ35J2T
    • EINECS 264-168-9
    • 2-Methoxy-(3,5 or 6)-methylpyrazine
    • FEMA No. 3183
    • CHOCOLATE PYRAZINE B
    • SCHEMBL570248
    • DTXCID5043849
    • DXLUAQMRYDUZCJ-UHFFFAOYSA-N
    • 2-METHOXY-3(5)-METHYLPYRAZINE
    • NS00022597
    • 2-METHOXY-3(5)-METHYLPYRAZINE [FCC]
    • 2 OR 5 OR 6-METHOXY-3-METHYL-1,4-DIAZINE
    • 2 OR 5 OR 6-METHOXY-3-METHYLPYRAZINE (MIXTURE OF ISOMERS)
    • 2 OR 5 OR 6-METHOXY-3-METHYLPYRAZINE (MIXTURE OF ISOMERS) [FHFI]
    • 264-168-9
    • MIXTURE OF 2-METHOXY-3-METHYLPYRAZINE AND 2-METHOXY-5-METHYLPYRAZINE AND 2-METHOXY-6-METHYLPYRAZINE

  • Applications

    2-Methoxy-(3,5 or 6)-methylpyrazine, CAS 63450-30-6, is primarily used as an aroma active in fragrance formulations and as a flavor ingredient in flavor formulations; it is commonly evaluated for cosmetics/personal care as an odorant or fragrance component, and for household products such as cleaners and air fresheners. It may also be used as an aroma additive in coatings/inks, and can function as a fragrance-related additive in polymers/plastics to impart or retain scent characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 127.05
    methanol 248.76
    isopropanol 58.15
    water 71.82
    ethyl acetate 36.0
    n-propanol 85.25
    acetone 42.46
    n-butanol 54.49
    acetonitrile 94.67
    DMF 382.56
    toluene 22.86
    isobutanol 54.82
    1,4-dioxane 108.52
    methyl acetate 57.59
    THF 85.51
    2-butanone 35.74
    n-pentanol 32.16
    sec-butanol 43.27
    n-hexane 1.45
    ethylene glycol 178.83
    NMP 277.98
    cyclohexane 8.67
    DMSO 345.36
    n-butyl acetate 26.52
    n-octanol 15.27
    chloroform 195.35
    n-propyl acetate 20.06
    acetic acid 308.38
    dichloromethane 232.58
    cyclohexanone 77.18
    propylene glycol 98.19
    isopropyl acetate 12.35
    DMAc 256.76
    2-ethoxyethanol 100.11
    isopentanol 30.61
    n-heptane 6.69
    ethyl formate 78.58
    1,2-dichloroethane 94.72
    n-hexanol 41.76
    2-methoxyethanol 248.01
    isobutyl acetate 12.05
    tetrachloromethane 38.25
    n-pentyl acetate 11.91
    transcutol 139.33
    n-heptanol 19.04
    ethylbenzene 9.87
    MIBK 10.23
    2-propoxyethanol 94.27
    tert-butanol 52.77
    MTBE 16.29
    2-butoxyethanol 47.16
    propionic acid 130.17
    o-xylene 24.8
    formic acid 432.54
    diethyl ether 15.43
    m-xylene 16.67
    p-xylene 15.78
    chlorobenzene 52.89
    dimethyl carbonate 31.1
    n-octane 1.82
    formamide 342.62
    cyclopentanone 79.63
    2-pentanone 17.98
    anisole 28.1
    cyclopentyl methyl ether 38.03
    gamma-butyrolactone 135.18
    1-methoxy-2-propanol 110.14
    pyridine 146.6
    3-pentanone 20.14
    furfural 249.88
    n-dodecane 1.8
    diethylene glycol 148.23
    diisopropyl ether 3.9
    tert-amyl alcohol 40.22
    acetylacetone 27.33
    n-hexadecane 2.0
    acetophenone 35.66
    methyl propionate 49.21
    isopentyl acetate 19.65
    trichloroethylene 198.07
    n-nonanol 14.04
    cyclohexanol 60.72
    benzyl alcohol 54.23
    2-ethylhexanol 25.11
    isooctanol 14.2
    dipropyl ether 23.88
    1,2-dichlorobenzene 53.35
    ethyl lactate 30.64
    propylene carbonate 83.43
    n-methylformamide 260.25
    2-pentanol 19.71
    n-pentane 2.48
    1-propoxy-2-propanol 58.2
    1-methoxy-2-propyl acetate 31.38
    2-(2-methoxypropoxy) propanol 45.68
    mesitylene 10.43
    ε-caprolactone 77.09
    p-cymene 17.63
    epichlorohydrin 129.59
    1,1,1-trichloroethane 63.63
    2-aminoethanol 201.37
    morpholine-4-carbaldehyde 234.27
    sulfolane 192.86
    2,2,4-trimethylpentane 2.49
    2-methyltetrahydrofuran 59.97
    n-hexyl acetate 17.19
    isooctane 1.3
    2-(2-butoxyethoxy)ethanol 58.87
    sec-butyl acetate 10.14
    tert-butyl acetate 12.04
    decalin 3.68
    glycerin 203.23
    diglyme 114.35
    acrylic acid 172.96
    isopropyl myristate 8.2
    n-butyric acid 105.64
    acetyl acetate 26.57
    di(2-ethylhexyl) phthalate 19.17
    ethyl propionate 20.39
    nitromethane 276.01
    1,2-diethoxyethane 24.55
    benzonitrile 70.37
    trioctyl phosphate 11.56
    1-bromopropane 35.11
    gamma-valerolactone 150.72
    n-decanol 11.33
    triethyl phosphate 24.34
    4-methyl-2-pentanol 9.96
    propionitrile 69.79
    vinylene carbonate 107.9
    1,1,2-trichlorotrifluoroethane 230.19
    DMS 23.85
    cumene 9.2
    2-octanol 8.78
    2-hexanone 13.82
    octyl acetate 12.61
    limonene 24.71
    1,2-dimethoxyethane 99.58
    ethyl orthosilicate 21.81
    tributyl phosphate 13.83
    diacetone alcohol 31.13
    N,N-dimethylaniline 28.67
    acrylonitrile 130.25
    aniline 74.43
    1,3-propanediol 160.78
    bromobenzene 45.49
    dibromomethane 122.71
    1,1,2,2-tetrachloroethane 142.82
    2-methyl-cyclohexyl acetate 23.81
    tetrabutyl urea 23.41
    diisobutyl methanol 12.88
    2-phenylethanol 43.76
    styrene 14.14
    dioctyl adipate 18.64
    dimethyl sulfate 63.86
    ethyl butyrate 28.49
    methyl lactate 64.59
    butyl lactate 21.92
    diethyl carbonate 27.9
    propanediol butyl ether 41.46
    triethyl orthoformate 26.21
    p-tert-butyltoluene 15.88
    methyl 4-tert-butylbenzoate 35.64
    morpholine 151.64
    tert-butylamine 29.64
    n-dodecanol 9.7
    dimethoxymethane 79.3
    ethylene carbonate 73.71
    cyrene 64.03
    2-ethoxyethyl acetate 20.01
    2-ethylhexyl acetate 16.05
    1,2,4-trichlorobenzene 71.1
    4-methylpyridine 95.39
    dibutyl ether 11.02
    2,6-dimethyl-4-heptanol 12.88
    DEF 79.04
    dimethyl isosorbide 70.24
    tetrachloroethylene 120.85
    eugenol 43.39
    triacetin 28.59
    span 80 41.21
    1,4-butanediol 66.85
    1,1-dichloroethane 64.78
    2-methyl-1-pentanol 22.76
    methyl formate 161.46
    2-methyl-1-butanol 38.66
    n-decane 2.44
    butyronitrile 54.92
    3,7-dimethyl-1-octanol 15.59
    1-chlorooctane 8.75
    1-chlorotetradecane 4.62
    n-nonane 2.2
    undecane 2.05
    tert-butylcyclohexane 2.75
    cyclooctane 2.62
    cyclopentanol 79.95
    tetrahydropyran 56.81
    tert-amyl methyl ether 16.31
    2,5,8-trioxanonane 88.68
    1-hexene 5.57
    2-isopropoxyethanol 45.52
    2,2,2-trifluoroethanol 157.2
    methyl butyrate 33.03

    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