Pyrazine, 2-butyl-3,5-dimethyl-

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  • Identifiers

    CAS number
    50888-63-6

    Molecular formula
    C10H16N2

    SMILES
    CCCCC1=NC=C(N=C1C)C

  • Odor profile

    Fragrance
    Nutty 56.22%
    Roasted 52.12%
    Earthy 51.48%
    Burnt 45.37%
    Musty 43.97%
    Sweet 41.77%
    Hazelnut 41.42%
    Cocoa 39.4%
    Chocolate 34.16%
    Coffee 30.68%

     

    Flavor
    Earthy 55.04%
    Nutty 50.54%
    Roasted 50.31%
    Musty 43.82%
    Meaty 42.57%
    Potato 40.65%
    Hazelnut 38.02%
    Green 36.43%
    Burnt 36.36%
    Vegetable 35.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    4.91 (weak acid)

    Molecular weight
    164.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 92.46 ˚C est.

  • Synonyms

    • 2-Butyl-3,5-dimethylpyrazine
    • 50888-63-6
    • EINECS 256-830-0
    • Pyrazine, 2-butyl-3,5-dimethyl-
    • 2,6-dimethyl-3-butylpyrazine
    • 3,5-Dimethyl-2-butylpyrazine
    • 3-Butyl-2,6-dimethylpyrazine
    • SCHEMBL7158583
    • DTXSID70198908
    • 2-Butyl-3,5-dimethylpyrazine #
    • AKOS006272106
    • DB-260867
    • NS00032166

  • Applications

    Pyrazine, 2-butyl-3,5-dimethyl- (CAS 50888-63-6) is used primarily as an odorant in perfumery and flavor formulations, contributing roasted/nutty notes typical of substituted pyrazines. It is also evaluated for use in cosmetics and personal care as a fragrance ingredient, and in household products such as air fresheners and cleaners to impart scent. In industrial manufacturing, the compound can serve as an intermediate or building block in the synthesis of heterocyclic compounds for specialty chemicals and may be pursued as a precursor in pharmaceutical or agrochemical synthesis. Its use is subject to local regulations and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 705.01
    methanol 817.7
    isopropanol 437.4
    water 0.78
    ethyl acetate 597.73
    n-propanol 558.63
    acetone 631.51
    n-butanol 606.26
    acetonitrile 443.51
    DMF 815.36
    toluene 467.34
    isobutanol 484.12
    1,4-dioxane 914.42
    methyl acetate 470.4
    THF 1247.75
    2-butanone 540.84
    n-pentanol 446.47
    sec-butanol 466.35
    n-hexane 183.09
    ethylene glycol 96.73
    NMP 852.64
    cyclohexane 313.69
    DMSO 705.52
    n-butyl acetate 1084.1
    n-octanol 280.86
    chloroform 2590.48
    n-propyl acetate 388.11
    acetic acid 605.54
    dichloromethane 2355.77
    cyclohexanone 1102.63
    propylene glycol 143.71
    isopropyl acetate 386.96
    DMAc 652.83
    2-ethoxyethanol 372.35
    isopentanol 533.83
    n-heptane 150.73
    ethyl formate 537.9
    1,2-dichloroethane 1137.19
    n-hexanol 771.8
    2-methoxyethanol 619.56
    isobutyl acetate 311.94
    tetrachloromethane 509.68
    n-pentyl acetate 407.56
    transcutol 1142.7
    n-heptanol 292.63
    ethylbenzene 244.9
    MIBK 328.96
    2-propoxyethanol 721.71
    tert-butanol 462.17
    MTBE 556.32
    2-butoxyethanol 388.0
    propionic acid 389.11
    o-xylene 273.17
    formic acid 179.94
    diethyl ether 611.66
    m-xylene 301.71
    p-xylene 334.21
    chlorobenzene 765.6
    dimethyl carbonate 183.43
    n-octane 63.74
    formamide 177.42
    cyclopentanone 971.31
    2-pentanone 486.98
    anisole 331.97
    cyclopentyl methyl ether 641.9
    gamma-butyrolactone 1069.51
    1-methoxy-2-propanol 431.75
    pyridine 932.03
    3-pentanone 398.38
    furfural 932.91
    n-dodecane 48.63
    diethylene glycol 382.75
    diisopropyl ether 193.36
    tert-amyl alcohol 467.77
    acetylacetone 506.65
    n-hexadecane 55.68
    acetophenone 325.24
    methyl propionate 397.52
    isopentyl acetate 845.08
    trichloroethylene 2040.02
    n-nonanol 236.37
    cyclohexanol 573.07
    benzyl alcohol 313.91
    2-ethylhexanol 497.41
    isooctanol 227.34
    dipropyl ether 493.76
    1,2-dichlorobenzene 669.48
    ethyl lactate 158.43
    propylene carbonate 764.14
    n-methylformamide 362.62
    2-pentanol 369.4
    n-pentane 139.4
    1-propoxy-2-propanol 573.72
    1-methoxy-2-propyl acetate 536.24
    2-(2-methoxypropoxy) propanol 305.74
    mesitylene 192.44
    ε-caprolactone 821.59
    p-cymene 229.01
    epichlorohydrin 1089.27
    1,1,1-trichloroethane 1096.13
    2-aminoethanol 212.21
    morpholine-4-carbaldehyde 722.37
    sulfolane 1004.92
    2,2,4-trimethylpentane 82.7
    2-methyltetrahydrofuran 987.72
    n-hexyl acetate 513.98
    isooctane 54.73
    2-(2-butoxyethoxy)ethanol 400.54
    sec-butyl acetate 264.14
    tert-butyl acetate 354.25
    decalin 120.31
    glycerin 170.58
    diglyme 687.48
    acrylic acid 317.36
    isopropyl myristate 202.52
    n-butyric acid 765.55
    acetyl acetate 395.93
    di(2-ethylhexyl) phthalate 211.81
    ethyl propionate 298.07
    nitromethane 618.4
    1,2-diethoxyethane 627.59
    benzonitrile 600.69
    trioctyl phosphate 161.34
    1-bromopropane 860.66
    gamma-valerolactone 1051.58
    n-decanol 176.77
    triethyl phosphate 202.33
    4-methyl-2-pentanol 221.32
    propionitrile 498.56
    vinylene carbonate 687.73
    1,1,2-trichlorotrifluoroethane 643.67
    DMS 328.28
    cumene 177.74
    2-octanol 203.87
    2-hexanone 430.29
    octyl acetate 258.11
    limonene 366.17
    1,2-dimethoxyethane 728.88
    ethyl orthosilicate 214.19
    tributyl phosphate 212.99
    diacetone alcohol 312.98
    N,N-dimethylaniline 256.25
    acrylonitrile 478.03
    aniline 465.44
    1,3-propanediol 361.06
    bromobenzene 898.32
    dibromomethane 1631.07
    1,1,2,2-tetrachloroethane 1653.25
    2-methyl-cyclohexyl acetate 364.26
    tetrabutyl urea 250.75
    diisobutyl methanol 219.64
    2-phenylethanol 441.42
    styrene 317.29
    dioctyl adipate 268.73
    dimethyl sulfate 258.79
    ethyl butyrate 493.99
    methyl lactate 172.23
    butyl lactate 285.37
    diethyl carbonate 318.51
    propanediol butyl ether 304.88
    triethyl orthoformate 328.31
    p-tert-butyltoluene 208.6
    methyl 4-tert-butylbenzoate 283.41
    morpholine 908.56
    tert-butylamine 375.43
    n-dodecanol 142.18
    dimethoxymethane 496.33
    ethylene carbonate 606.92
    cyrene 262.94
    2-ethoxyethyl acetate 439.42
    2-ethylhexyl acetate 676.55
    1,2,4-trichlorobenzene 645.33
    4-methylpyridine 952.06
    dibutyl ether 417.79
    2,6-dimethyl-4-heptanol 219.64
    DEF 636.45
    dimethyl isosorbide 557.72
    tetrachloroethylene 1147.74
    eugenol 294.23
    triacetin 303.2
    span 80 313.07
    1,4-butanediol 175.32
    1,1-dichloroethane 1125.98
    2-methyl-1-pentanol 434.57
    methyl formate 365.33
    2-methyl-1-butanol 533.55
    n-decane 79.51
    butyronitrile 686.11
    3,7-dimethyl-1-octanol 267.74
    1-chlorooctane 266.49
    1-chlorotetradecane 110.47
    n-nonane 84.93
    undecane 60.26
    tert-butylcyclohexane 107.3
    cyclooctane 96.28
    cyclopentanol 519.9
    tetrahydropyran 1068.78
    tert-amyl methyl ether 412.27
    2,5,8-trioxanonane 467.4
    1-hexene 433.26
    2-isopropoxyethanol 276.91
    2,2,2-trifluoroethanol 174.09
    methyl butyrate 473.0

    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