Pyrazine, 2-ethoxymethyl-

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  • Identifiers

    CAS number
    65504-94-1

    Molecular formula
    C7H10N2O

    SMILES
    CCOCC1=NC=CN=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 82.65%
    Roasted 75.4%
    Earthy 63.7%
    Hazelnut 55.38%
    Potato 47.06%
    Almond 46.99%
    Coffee 46.03%
    Musty 44.78%
    Cocoa 41.95%
    Green 38.56%

     

    Flavor
    Nutty 56.74%
    Coffee 45.23%
    Roasted 45.18%
    Earthy 40.31%
    Vegetable 36.02%
    Potato 33.56%
    Roast 32.43%
    Fatty 31.8%
    Musty 30.73%
    Green 30.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    2.49 (strong acid)

    Molecular weight
    138.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 97.58 ˚C est.

  • Synonyms

    • Pyrazine, 2-ethoxymethyl-
    • 2-(ethoxymethyl)pyrazine
    • 65504-94-1
    • Methylethoxypyrazine
    • methyl ethoxypyrazine
    • EINECS 265-794-5
    • 2-Ethoxymethylpyrazine
    • UNII-8Z723WC955
    • 2-Methyl-3,5(or 6)-ethoxypyrazine
    • 8Z723WC955
    • 35250-48-7
    • SCHEMBL5569539
    • HAKYWHMNHHQQJR-UHFFFAOYSA-N
    • DTXSID101024947
    • NS00055875

  • Applications

    Pyrazine, 2-ethoxymethyl-, CAS 65504-94-1 is primarily used as a fragrance and flavor ingredient in perfumery and flavor applications, and as an intermediate for the synthesis of other pyrazine derivatives; it also finds use in cosmetics and personal care as an aroma component and may appear in household cleaning products for fragrance purposes; in industrial manufacturing it commonly serves as an intermediate in the preparation of more complex pyrazine compounds and can act as a precursor for specialty polymer or plastics related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 195.83
    methanol 341.9
    isopropanol 79.34
    water 26.37
    ethyl acetate 75.43
    n-propanol 121.65
    acetone 75.54
    n-butanol 93.37
    acetonitrile 109.45
    DMF 398.93
    toluene 49.29
    isobutanol 80.2
    1,4-dioxane 159.9
    methyl acetate 82.05
    THF 127.0
    2-butanone 58.96
    n-pentanol 60.23
    sec-butanol 61.47
    n-hexane 3.08
    ethylene glycol 179.52
    NMP 294.76
    cyclohexane 16.97
    DMSO 447.04
    n-butyl acetate 51.06
    n-octanol 21.1
    chloroform 380.83
    n-propyl acetate 33.8
    acetic acid 394.14
    dichloromethane 396.74
    cyclohexanone 139.63
    propylene glycol 125.68
    isopropyl acetate 29.21
    DMAc 337.85
    2-ethoxyethanol 132.95
    isopentanol 58.88
    n-heptane 7.31
    ethyl formate 103.92
    1,2-dichloroethane 180.02
    n-hexanol 64.74
    2-methoxyethanol 305.78
    isobutyl acetate 22.35
    tetrachloromethane 66.35
    n-pentyl acetate 22.97
    transcutol 264.99
    n-heptanol 24.21
    ethylbenzene 17.39
    MIBK 18.51
    2-propoxyethanol 123.09
    tert-butanol 84.85
    MTBE 34.86
    2-butoxyethanol 58.57
    propionic acid 183.42
    o-xylene 40.5
    formic acid 345.86
    diethyl ether 31.93
    m-xylene 30.74
    p-xylene 26.68
    chlorobenzene 99.42
    dimethyl carbonate 41.19
    n-octane 2.3
    formamide 286.52
    cyclopentanone 124.78
    2-pentanone 35.36
    anisole 43.93
    cyclopentyl methyl ether 62.35
    gamma-butyrolactone 196.91
    1-methoxy-2-propanol 141.62
    pyridine 236.47
    3-pentanone 37.25
    furfural 306.83
    n-dodecane 2.5
    diethylene glycol 179.12
    diisopropyl ether 8.17
    tert-amyl alcohol 65.98
    acetylacetone 51.93
    n-hexadecane 2.79
    acetophenone 52.28
    methyl propionate 77.19
    isopentyl acetate 40.27
    trichloroethylene 399.29
    n-nonanol 19.82
    cyclohexanol 100.2
    benzyl alcohol 76.92
    2-ethylhexanol 35.09
    isooctanol 19.01
    dipropyl ether 28.08
    1,2-dichlorobenzene 100.03
    ethyl lactate 42.45
    propylene carbonate 128.85
    n-methylformamide 235.32
    2-pentanol 34.99
    n-pentane 5.04
    1-propoxy-2-propanol 71.41
    1-methoxy-2-propyl acetate 57.72
    2-(2-methoxypropoxy) propanol 63.77
    mesitylene 19.47
    ε-caprolactone 128.51
    p-cymene 22.08
    epichlorohydrin 186.56
    1,1,1-trichloroethane 134.79
    2-aminoethanol 204.46
    morpholine-4-carbaldehyde 254.65
    sulfolane 249.07
    2,2,4-trimethylpentane 4.72
    2-methyltetrahydrofuran 99.86
    n-hexyl acetate 32.83
    isooctane 2.33
    2-(2-butoxyethoxy)ethanol 87.31
    sec-butyl acetate 19.94
    tert-butyl acetate 24.88
    decalin 6.64
    glycerin 220.59
    diglyme 158.5
    acrylic acid 218.72
    isopropyl myristate 14.17
    n-butyric acid 192.24
    acetyl acetate 64.2
    di(2-ethylhexyl) phthalate 29.06
    ethyl propionate 33.8
    nitromethane 317.58
    1,2-diethoxyethane 49.27
    benzonitrile 101.21
    trioctyl phosphate 16.85
    1-bromopropane 70.52
    gamma-valerolactone 199.51
    n-decanol 15.5
    triethyl phosphate 32.28
    4-methyl-2-pentanol 18.76
    propionitrile 93.44
    vinylene carbonate 150.87
    1,1,2-trichlorotrifluoroethane 305.95
    DMS 43.57
    cumene 15.2
    2-octanol 12.07
    2-hexanone 25.75
    octyl acetate 20.57
    limonene 33.36
    1,2-dimethoxyethane 138.53
    ethyl orthosilicate 29.57
    tributyl phosphate 22.41
    diacetone alcohol 46.55
    N,N-dimethylaniline 39.29
    acrylonitrile 154.62
    aniline 129.66
    1,3-propanediol 188.1
    bromobenzene 88.76
    dibromomethane 209.44
    1,1,2,2-tetrachloroethane 292.97
    2-methyl-cyclohexyl acetate 35.82
    tetrabutyl urea 34.27
    diisobutyl methanol 19.21
    2-phenylethanol 65.02
    styrene 27.53
    dioctyl adipate 30.95
    dimethyl sulfate 85.63
    ethyl butyrate 44.23
    methyl lactate 82.93
    butyl lactate 32.71
    diethyl carbonate 39.32
    propanediol butyl ether 56.66
    triethyl orthoformate 37.06
    p-tert-butyltoluene 19.67
    methyl 4-tert-butylbenzoate 47.07
    morpholine 199.27
    tert-butylamine 50.07
    n-dodecanol 13.39
    dimethoxymethane 103.93
    ethylene carbonate 115.89
    cyrene 75.13
    2-ethoxyethyl acetate 37.95
    2-ethylhexyl acetate 32.74
    1,2,4-trichlorobenzene 124.71
    4-methylpyridine 165.64
    dibutyl ether 20.3
    2,6-dimethyl-4-heptanol 19.21
    DEF 124.5
    dimethyl isosorbide 95.27
    tetrachloroethylene 241.47
    eugenol 56.62
    triacetin 46.62
    span 80 55.69
    1,4-butanediol 83.38
    1,1-dichloroethane 133.43
    2-methyl-1-pentanol 49.07
    methyl formate 150.82
    2-methyl-1-butanol 67.17
    n-decane 3.34
    butyronitrile 86.13
    3,7-dimethyl-1-octanol 23.47
    1-chlorooctane 13.86
    1-chlorotetradecane 7.27
    n-nonane 2.98
    undecane 2.8
    tert-butylcyclohexane 5.22
    cyclooctane 4.57
    cyclopentanol 104.03
    tetrahydropyran 110.52
    tert-amyl methyl ether 33.27
    2,5,8-trioxanonane 125.1
    1-hexene 12.69
    2-isopropoxyethanol 63.34
    2,2,2-trifluoroethanol 170.24
    methyl butyrate 51.1

    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