2,3-Dimethyl-5-(2-methylbutyl)pyrazine

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  • Identifiers

    CAS number
    75492-01-2

    Molecular formula
    C11H18N2

    SMILES
    CCC(C)CC1=CN=C(C(=N1)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 46.76%
    Roasted 45.88%
    Earthy 44.59%
    Burnt 43.31%
    Green 36.66%
    Musty 33.19%
    Cocoa 32.45%
    Fruity 31.32%
    Hazelnut 30.74%
    Woody 27.99%

     

    Flavor
    Green 44.33%
    Earthy 43.84%
    Musty 40.2%
    Herbal 39.56%
    Pepper 37.54%
    Roasted 34.49%
    Earth 34.15%
    Burnt 30.41%
    Hazelnut 27.87%
    Nutty 27.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.63 (weak acid)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 104.58 ˚C est.

  • Synonyms

    • 2,3-dimethyl-5-(2-methylbutyl)pyrazine
    • 75492-01-2
    • DTXSID80335948
    • DTXCID60287037
    • dimethyl-6-(2'-methylbutyl)pyrazine
    • AKOS006290967
    • DB-087905
    • Pyrazine, 2,3-dimethyl-5-(2-methylbutyl)
    • Pyrazine,2,3-dimethyl-5-(2-methylbutyl)-(9ci)
    • 662-698-9

  • Applications

    For 2,3-Dimethyl-5-(2-methylbutyl)pyrazine (CAS 75492-01-2), practical applications are mainly in fragrance and flavor industries, as well as cosmetics and personal care, and household products, where it is used as an odorant/fragrance ingredient; it is evaluated and used as an odorant in perfume formulations and flavor systems to contribute characteristic pyrazine notes; it may function as an aroma component in cosmetics and household products to impart a distinctive scent; it can also serve as an intermediate in the synthesis of other pyrazine derivatives and may be incorporated into coatings/inks or polymer formulations to introduce scent during manufacturing; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 406.86
    methanol 403.13
    isopropanol 274.98
    water 0.89
    ethyl acetate 450.41
    n-propanol 344.53
    acetone 423.11
    n-butanol 397.69
    acetonitrile 255.91
    DMF 582.34
    toluene 412.37
    isobutanol 306.11
    1,4-dioxane 780.02
    methyl acetate 354.91
    THF 902.05
    2-butanone 405.63
    n-pentanol 266.54
    sec-butanol 289.31
    n-hexane 116.13
    ethylene glycol 57.29
    NMP 532.55
    cyclohexane 224.66
    DMSO 388.51
    n-butyl acetate 792.58
    n-octanol 159.55
    chloroform 1900.07
    n-propyl acetate 274.35
    acetic acid 384.76
    dichloromethane 1415.76
    cyclohexanone 882.96
    propylene glycol 98.36
    isopropyl acetate 324.91
    DMAc 559.52
    2-ethoxyethanol 268.82
    isopentanol 406.72
    n-heptane 69.88
    ethyl formate 330.95
    1,2-dichloroethane 825.52
    n-hexanol 526.69
    2-methoxyethanol 458.18
    isobutyl acetate 231.75
    tetrachloromethane 388.02
    n-pentyl acetate 273.34
    transcutol 1003.66
    n-heptanol 194.36
    ethylbenzene 199.74
    MIBK 238.44
    2-propoxyethanol 545.6
    tert-butanol 372.73
    MTBE 485.36
    2-butoxyethanol 282.36
    propionic acid 269.28
    o-xylene 251.07
    formic acid 102.31
    diethyl ether 424.46
    m-xylene 262.6
    p-xylene 300.42
    chlorobenzene 615.3
    dimethyl carbonate 128.78
    n-octane 30.49
    formamide 111.4
    cyclopentanone 725.58
    2-pentanone 348.84
    anisole 270.49
    cyclopentyl methyl ether 478.13
    gamma-butyrolactone 706.42
    1-methoxy-2-propanol 327.2
    pyridine 755.79
    3-pentanone 303.99
    furfural 719.23
    n-dodecane 23.98
    diethylene glycol 298.92
    diisopropyl ether 147.7
    tert-amyl alcohol 367.87
    acetylacetone 376.42
    n-hexadecane 27.93
    acetophenone 257.26
    methyl propionate 289.93
    isopentyl acetate 676.5
    trichloroethylene 1540.91
    n-nonanol 145.06
    cyclohexanol 436.01
    benzyl alcohol 259.12
    2-ethylhexanol 340.51
    isooctanol 156.94
    dipropyl ether 314.83
    1,2-dichlorobenzene 526.4
    ethyl lactate 114.64
    propylene carbonate 530.28
    n-methylformamide 215.1
    2-pentanol 256.06
    n-pentane 89.73
    1-propoxy-2-propanol 437.3
    1-methoxy-2-propyl acetate 458.21
    2-(2-methoxypropoxy) propanol 237.65
    mesitylene 165.6
    ε-caprolactone 657.05
    p-cymene 165.78
    epichlorohydrin 816.16
    1,1,1-trichloroethane 886.78
    2-aminoethanol 135.46
    morpholine-4-carbaldehyde 600.17
    sulfolane 685.49
    2,2,4-trimethylpentane 62.15
    2-methyltetrahydrofuran 702.48
    n-hexyl acetate 352.51
    isooctane 37.13
    2-(2-butoxyethoxy)ethanol 331.7
    sec-butyl acetate 212.68
    tert-butyl acetate 303.09
    decalin 86.63
    glycerin 125.02
    diglyme 561.59
    acrylic acid 227.36
    isopropyl myristate 139.59
    n-butyric acid 588.44
    acetyl acetate 324.31
    di(2-ethylhexyl) phthalate 155.17
    ethyl propionate 229.23
    nitromethane 409.31
    1,2-diethoxyethane 507.6
    benzonitrile 423.19
    trioctyl phosphate 107.16
    1-bromopropane 558.85
    gamma-valerolactone 889.88
    n-decanol 112.84
    triethyl phosphate 150.83
    4-methyl-2-pentanol 174.41
    propionitrile 316.33
    vinylene carbonate 484.27
    1,1,2-trichlorotrifluoroethane 528.27
    DMS 259.1
    cumene 146.29
    2-octanol 132.03
    2-hexanone 286.27
    octyl acetate 177.08
    limonene 250.73
    1,2-dimethoxyethane 540.01
    ethyl orthosilicate 165.35
    tributyl phosphate 144.09
    diacetone alcohol 261.8
    N,N-dimethylaniline 204.26
    acrylonitrile 303.94
    aniline 418.94
    1,3-propanediol 251.55
    bromobenzene 708.87
    dibromomethane 1038.79
    1,1,2,2-tetrachloroethane 1379.38
    2-methyl-cyclohexyl acetate 286.61
    tetrabutyl urea 166.84
    diisobutyl methanol 164.09
    2-phenylethanol 367.4
    styrene 242.18
    dioctyl adipate 186.17
    dimethyl sulfate 183.27
    ethyl butyrate 342.08
    methyl lactate 131.8
    butyl lactate 212.0
    diethyl carbonate 225.41
    propanediol butyl ether 214.06
    triethyl orthoformate 265.74
    p-tert-butyltoluene 157.66
    methyl 4-tert-butylbenzoate 217.36
    morpholine 759.36
    tert-butylamine 289.59
    n-dodecanol 91.11
    dimethoxymethane 321.58
    ethylene carbonate 444.56
    cyrene 214.46
    2-ethoxyethyl acetate 332.6
    2-ethylhexyl acetate 553.79
    1,2,4-trichlorobenzene 530.38
    4-methylpyridine 767.57
    dibutyl ether 251.75
    2,6-dimethyl-4-heptanol 164.09
    DEF 439.01
    dimethyl isosorbide 451.38
    tetrachloroethylene 933.26
    eugenol 239.83
    triacetin 241.94
    span 80 242.84
    1,4-butanediol 108.12
    1,1-dichloroethane 834.76
    2-methyl-1-pentanol 308.59
    methyl formate 206.45
    2-methyl-1-butanol 375.43
    n-decane 40.16
    butyronitrile 397.12
    3,7-dimethyl-1-octanol 191.03
    1-chlorooctane 155.36
    1-chlorotetradecane 63.8
    n-nonane 38.81
    undecane 29.67
    tert-butylcyclohexane 76.42
    cyclooctane 67.82
    cyclopentanol 332.02
    tetrahydropyran 846.08
    tert-amyl methyl ether 330.78
    2,5,8-trioxanonane 363.4
    1-hexene 287.66
    2-isopropoxyethanol 210.57
    2,2,2-trifluoroethanol 138.27
    methyl butyrate 344.81

    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