2-(1-Ethoxyethyl)pyrazine

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  • Identifiers

    CAS number
    85985-30-4

    Molecular formula
    C8H12N2O

    SMILES
    CCOC(C)C1=NC=CN=C1

  • Odor profile

    Fragrance
    Nutty 81.25%
    Roasted 71.92%
    Earthy 63.52%
    Woody 50.7%
    Hazelnut 49.62%
    Potato 46.03%
    Musty 42.51%
    Cocoa 41.84%
    Coffee 41.56%
    Green 39.85%

     

    Flavor
    Nutty 50.54%
    Green 49.18%
    Earthy 46.68%
    Roasted 39.07%
    Vegetable 37.86%
    Musty 35.13%
    Potato 32.27%
    Coffee 30.63%
    Fatty 28.2%
    Meaty 27.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    3.08 (weak acid)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point

    • 98.4 ˚C est.

  • Synonyms

    • 2-(1-Ethoxyethyl)pyrazine
    • 85985-30-4
    • SCHEMBL18973909
    • DTXSID70826850

  • Applications

    2-(1-Ethoxyethyl)pyrazine (CAS 85985-30-4) is primarily used as a synthetic building block in organic synthesis, serving as an intermediate for the preparation of pyrazine-containing compounds in pharmaceutical development and in agrochemical research. The 1-ethoxyethyl substituent can function as a protective or handling group to enable downstream transformations on the heteroaromatic core. In fragrance and flavor chemistry, the compound may be evaluated as a precursor to aroma-active pyrazine derivatives with savory notes; in cosmetics and personal care, it can be explored as part of fragrance-containing formulations. In materials science, it can serve as a monomer or functional additive for specialty polymers and coatings where the pyrazine ring contributes to thermal or electronic properties. Use in electronics-related materials or other industrial formulations may be considered, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.01
    methanol 433.98
    isopropanol 127.29
    water 19.29
    ethyl acetate 143.43
    n-propanol 181.78
    acetone 121.77
    n-butanol 169.77
    acetonitrile 190.02
    DMF 280.96
    toluene 106.71
    isobutanol 143.64
    1,4-dioxane 266.38
    methyl acetate 130.79
    THF 247.37
    2-butanone 107.43
    n-pentanol 109.98
    sec-butanol 116.05
    n-hexane 12.54
    ethylene glycol 161.25
    NMP 334.25
    cyclohexane 47.26
    DMSO 448.2
    n-butyl acetate 101.37
    n-octanol 44.8
    chloroform 784.55
    n-propyl acetate 65.63
    acetic acid 488.64
    dichloromethane 827.45
    cyclohexanone 261.31
    propylene glycol 111.73
    isopropyl acetate 62.92
    DMAc 329.51
    2-ethoxyethanol 181.69
    isopentanol 121.53
    n-heptane 16.38
    ethyl formate 147.6
    1,2-dichloroethane 368.33
    n-hexanol 117.77
    2-methoxyethanol 330.84
    isobutyl acetate 43.91
    tetrachloromethane 161.8
    n-pentyl acetate 53.62
    transcutol 360.3
    n-heptanol 47.83
    ethylbenzene 40.0
    MIBK 42.42
    2-propoxyethanol 173.01
    tert-butanol 144.93
    MTBE 86.95
    2-butoxyethanol 93.4
    propionic acid 219.91
    o-xylene 75.17
    formic acid 326.32
    diethyl ether 94.79
    m-xylene 63.86
    p-xylene 58.73
    chlorobenzene 199.98
    dimethyl carbonate 47.15
    n-octane 6.05
    formamide 254.97
    cyclopentanone 211.11
    2-pentanone 72.47
    anisole 78.67
    cyclopentyl methyl ether 125.7
    gamma-butyrolactone 305.86
    1-methoxy-2-propanol 162.66
    pyridine 340.84
    3-pentanone 76.59
    furfural 370.12
    n-dodecane 6.29
    diethylene glycol 211.5
    diisopropyl ether 22.62
    tert-amyl alcohol 128.72
    acetylacetone 92.43
    n-hexadecane 7.1
    acetophenone 83.4
    methyl propionate 111.8
    isopentyl acetate 83.85
    trichloroethylene 687.51
    n-nonanol 40.77
    cyclohexanol 181.41
    benzyl alcohol 112.7
    2-ethylhexanol 68.57
    isooctanol 37.05
    dipropyl ether 57.71
    1,2-dichlorobenzene 185.68
    ethyl lactate 59.78
    propylene carbonate 191.88
    n-methylformamide 205.58
    2-pentanol 76.15
    n-pentane 17.29
    1-propoxy-2-propanol 105.58
    1-methoxy-2-propyl acetate 90.28
    2-(2-methoxypropoxy) propanol 88.27
    mesitylene 40.1
    ε-caprolactone 216.18
    p-cymene 42.04
    epichlorohydrin 310.44
    1,1,1-trichloroethane 307.97
    2-aminoethanol 206.19
    morpholine-4-carbaldehyde 276.62
    sulfolane 353.64
    2,2,4-trimethylpentane 13.76
    2-methyltetrahydrofuran 208.85
    n-hexyl acetate 74.88
    isooctane 6.65
    2-(2-butoxyethoxy)ethanol 118.73
    sec-butyl acetate 42.81
    tert-butyl acetate 51.95
    decalin 18.79
    glycerin 186.2
    diglyme 209.26
    acrylic acid 236.68
    isopropyl myristate 30.61
    n-butyric acid 269.88
    acetyl acetate 118.85
    di(2-ethylhexyl) phthalate 50.26
    ethyl propionate 61.02
    nitromethane 360.92
    1,2-diethoxyethane 94.74
    benzonitrile 166.38
    trioctyl phosphate 31.48
    1-bromopropane 186.11
    gamma-valerolactone 288.19
    n-decanol 31.31
    triethyl phosphate 51.47
    4-methyl-2-pentanol 40.26
    propionitrile 162.75
    vinylene carbonate 215.74
    1,1,2-trichlorotrifluoroethane 338.62
    DMS 71.79
    cumene 34.14
    2-octanol 29.48
    2-hexanone 55.97
    octyl acetate 41.46
    limonene 66.14
    1,2-dimethoxyethane 198.74
    ethyl orthosilicate 48.65
    tributyl phosphate 42.05
    diacetone alcohol 75.15
    N,N-dimethylaniline 65.65
    acrylonitrile 211.75
    aniline 190.25
    1,3-propanediol 224.88
    bromobenzene 200.08
    dibromomethane 496.17
    1,1,2,2-tetrachloroethane 522.83
    2-methyl-cyclohexyl acetate 67.79
    tetrabutyl urea 54.87
    diisobutyl methanol 37.6
    2-phenylethanol 102.68
    styrene 58.62
    dioctyl adipate 56.51
    dimethyl sulfate 91.84
    ethyl butyrate 78.35
    methyl lactate 87.74
    butyl lactate 55.99
    diethyl carbonate 65.81
    propanediol butyl ether 81.43
    triethyl orthoformate 64.23
    p-tert-butyltoluene 37.83
    methyl 4-tert-butylbenzoate 75.05
    morpholine 295.2
    tert-butylamine 100.19
    n-dodecanol 25.81
    dimethoxymethane 119.87
    ethylene carbonate 173.26
    cyrene 104.48
    2-ethoxyethyl acetate 74.27
    2-ethylhexyl acetate 69.17
    1,2,4-trichlorobenzene 215.3
    4-methylpyridine 249.65
    dibutyl ether 48.09
    2,6-dimethyl-4-heptanol 37.6
    DEF 161.41
    dimethyl isosorbide 146.46
    tetrachloroethylene 436.1
    eugenol 87.74
    triacetin 77.99
    span 80 80.19
    1,4-butanediol 101.74
    1,1-dichloroethane 322.53
    2-methyl-1-pentanol 101.26
    methyl formate 150.01
    2-methyl-1-butanol 138.46
    n-decane 9.1
    butyronitrile 170.95
    3,7-dimethyl-1-octanol 49.43
    1-chlorooctane 35.82
    1-chlorotetradecane 17.53
    n-nonane 8.46
    undecane 7.29
    tert-butylcyclohexane 15.1
    cyclooctane 12.47
    cyclopentanol 178.29
    tetrahydropyran 220.81
    tert-amyl methyl ether 73.4
    2,5,8-trioxanonane 157.46
    1-hexene 41.41
    2-isopropoxyethanol 98.15
    2,2,2-trifluoroethanol 186.89
    methyl butyrate 89.25

    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