5-Isobutyl-3-methyl-2-methoxypyrazine

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  • Identifiers

    CAS number
    78246-20-5

    Molecular formula
    C10H16N2O

    SMILES
    CC1=NC(=CN=C1OC)CC(C)C

  • Odor profile

    Fragrance
    Woody 49.3%
    Green 48.22%
    Earthy 47.52%
    Nutty 32.83%
    Mint 29.97%
    Fruity 28.72%
    Burnt 27.83%
    Roasted 27.5%
    Leafy 27.39%
    Vetiver 26.75%

     

    Flavor
    Earthy 45.35%
    Earth 40.72%
    Green 38.12%
    Musty 35.08%
    Pepper 34.97%
    Roasted 34.85%
    Burnt 33.27%
    Pea 32.61%
    Spice 31.22%
    Bell 27.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.45 (weak acid)

    Molecular weight
    180.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 101.53 ˚C est.

  • Synonyms

    • 5-isobutyl-3-methyl-2-methoxypyrazine
    • 78246-20-5
    • DTXSID30335958
    • Pyrazine, 2-methoxy-3-methyl-5-(2-methylpropyl)-
    • CHEMBL415500
    • SCHEMBL11213705
    • DTXCID10287047
    • DB-278053
    • Pyrazine, 2-methoxy-3-methyl-5-(2-methylpropyl)
    • Pyrazine,2-methoxy-3-methyl-5-(2-methylpropyl)-(9ci)

  • Applications

    5-Isobutyl-3-methyl-2-methoxypyrazine (CAS 78246-20-5) is a pyrazine with a green, bell-pepper–like aroma, used primarily as an aroma-active ingredient in the fragrance and flavor industries. Real-world applications include its use as an odorant in perfumery and in flavor formulations to impart a green pepper note; it is also regarded as a chemical intermediate for the synthesis of other aroma-active pyrazines. In cosmetics and personal care, it may be used at very low levels as a fragrance component; in household products, it can serve as a scent additive for products such as cleaners and air fresheners. Additionally, it has potential as a chemical intermediate in the synthesis of additional pyrazine aroma compounds for aroma research and industrial development. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1092.42
    methanol 1594.84
    isopropanol 584.46
    water 1.16
    ethyl acetate 730.29
    n-propanol 701.64
    acetone 1000.88
    n-butanol 742.84
    acetonitrile 834.83
    DMF 1018.8
    toluene 425.4
    isobutanol 540.85
    1,4-dioxane 948.47
    methyl acetate 644.48
    THF 1480.37
    2-butanone 680.51
    n-pentanol 490.86
    sec-butanol 567.49
    n-hexane 70.6
    ethylene glycol 197.94
    NMP 929.84
    cyclohexane 165.95
    DMSO 1049.62
    n-butyl acetate 911.17
    n-octanol 189.52
    chloroform 2697.19
    n-propyl acetate 406.97
    acetic acid 1596.46
    dichloromethane 2775.41
    cyclohexanone 1213.84
    propylene glycol 245.23
    isopropyl acetate 376.08
    DMAc 629.16
    2-ethoxyethanol 532.74
    isopentanol 565.25
    n-heptane 59.18
    ethyl formate 820.22
    1,2-dichloroethane 1317.4
    n-hexanol 665.49
    2-methoxyethanol 1058.64
    isobutyl acetate 253.77
    tetrachloromethane 459.73
    n-pentyl acetate 346.06
    transcutol 1332.29
    n-heptanol 217.33
    ethylbenzene 186.65
    MIBK 328.92
    2-propoxyethanol 840.91
    tert-butanol 595.11
    MTBE 529.19
    2-butoxyethanol 365.67
    propionic acid 592.86
    o-xylene 235.65
    formic acid 598.53
    diethyl ether 563.05
    m-xylene 261.51
    p-xylene 274.4
    chlorobenzene 788.63
    dimethyl carbonate 223.4
    n-octane 20.14
    formamide 655.0
    cyclopentanone 1124.91
    2-pentanone 609.59
    anisole 333.75
    cyclopentyl methyl ether 663.52
    gamma-butyrolactone 1263.04
    1-methoxy-2-propanol 588.47
    pyridine 1022.15
    3-pentanone 391.21
    furfural 1354.56
    n-dodecane 15.42
    diethylene glycol 579.28
    diisopropyl ether 133.83
    tert-amyl alcohol 592.62
    acetylacetone 578.56
    n-hexadecane 17.93
    acetophenone 336.62
    methyl propionate 478.96
    isopentyl acetate 668.65
    trichloroethylene 2851.52
    n-nonanol 158.87
    cyclohexanol 678.66
    benzyl alcohol 392.85
    2-ethylhexanol 358.51
    isooctanol 162.62
    dipropyl ether 312.79
    1,2-dichlorobenzene 669.32
    ethyl lactate 178.46
    propylene carbonate 872.04
    n-methylformamide 745.53
    2-pentanol 409.5
    n-pentane 77.4
    1-propoxy-2-propanol 542.71
    1-methoxy-2-propyl acetate 519.9
    2-(2-methoxypropoxy) propanol 289.21
    mesitylene 147.97
    ε-caprolactone 924.54
    p-cymene 173.4
    epichlorohydrin 1574.14
    1,1,1-trichloroethane 1353.15
    2-aminoethanol 396.09
    morpholine-4-carbaldehyde 863.2
    sulfolane 1216.82
    2,2,4-trimethylpentane 47.59
    2-methyltetrahydrofuran 1118.99
    n-hexyl acetate 434.68
    isooctane 28.27
    2-(2-butoxyethoxy)ethanol 432.32
    sec-butyl acetate 239.76
    tert-butyl acetate 362.41
    decalin 63.43
    glycerin 312.51
    diglyme 752.67
    acrylic acid 566.64
    isopropyl myristate 136.43
    n-butyric acid 1050.93
    acetyl acetate 506.29
    di(2-ethylhexyl) phthalate 177.67
    ethyl propionate 278.22
    nitromethane 1539.15
    1,2-diethoxyethane 508.44
    benzonitrile 664.74
    trioctyl phosphate 128.7
    1-bromopropane 763.81
    gamma-valerolactone 1355.65
    n-decanol 116.22
    triethyl phosphate 171.44
    4-methyl-2-pentanol 201.85
    propionitrile 605.47
    vinylene carbonate 876.13
    1,1,2-trichlorotrifluoroethane 1074.64
    DMS 310.64
    cumene 128.31
    2-octanol 145.28
    2-hexanone 397.32
    octyl acetate 198.59
    limonene 273.55
    1,2-dimethoxyethane 805.05
    ethyl orthosilicate 175.5
    tributyl phosphate 177.13
    diacetone alcohol 410.48
    N,N-dimethylaniline 213.42
    acrylonitrile 687.19
    aniline 555.45
    1,3-propanediol 604.83
    bromobenzene 842.52
    dibromomethane 1692.71
    1,1,2,2-tetrachloroethane 1948.29
    2-methyl-cyclohexyl acetate 321.54
    tetrabutyl urea 198.94
    diisobutyl methanol 162.4
    2-phenylethanol 439.95
    styrene 261.99
    dioctyl adipate 211.79
    dimethyl sulfate 302.7
    ethyl butyrate 420.91
    methyl lactate 238.74
    butyl lactate 275.35
    diethyl carbonate 287.17
    propanediol butyl ether 336.36
    triethyl orthoformate 264.34
    p-tert-butyltoluene 152.4
    methyl 4-tert-butylbenzoate 253.18
    morpholine 1130.78
    tert-butylamine 377.62
    n-dodecanol 89.01
    dimethoxymethane 626.48
    ethylene carbonate 687.83
    cyrene 287.3
    2-ethoxyethyl acetate 442.08
    2-ethylhexyl acetate 515.74
    1,2,4-trichlorobenzene 715.46
    4-methylpyridine 1088.36
    dibutyl ether 237.45
    2,6-dimethyl-4-heptanol 162.4
    DEF 602.76
    dimethyl isosorbide 525.61
    tetrachloroethylene 1297.39
    eugenol 270.52
    triacetin 296.96
    span 80 273.17
    1,4-butanediol 249.63
    1,1-dichloroethane 1320.66
    2-methyl-1-pentanol 443.0
    methyl formate 726.7
    2-methyl-1-butanol 566.72
    n-decane 25.41
    butyronitrile 860.01
    3,7-dimethyl-1-octanol 208.35
    1-chlorooctane 145.04
    1-chlorotetradecane 53.53
    n-nonane 25.36
    undecane 18.9
    tert-butylcyclohexane 53.08
    cyclooctane 46.14
    cyclopentanol 631.98
    tetrahydropyran 1078.66
    tert-amyl methyl ether 387.86
    2,5,8-trioxanonane 454.39
    1-hexene 251.15
    2-isopropoxyethanol 333.23
    2,2,2-trifluoroethanol 408.86
    methyl butyrate 481.81

    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