5-Isobutyl-2,3-dimethylpyrazine

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  • Identifiers

    CAS number
    54410-83-2

    Molecular formula
    C10H16N2

    SMILES
    CC1=NC=C(N=C1C)CC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 56.24%
    Earthy 52.73%
    Nutty 50.83%
    Roasted 44.05%
    Burnt 42.59%
    Cocoa 37.87%
    Musty 36.21%
    Woody 36.0%
    Fruity 35.5%
    Vegetable 35.05%

     

    Flavor
    Earthy 48.92%
    Roasted 43.28%
    Musty 43.22%
    Burnt 39.33%
    Earth 38.69%
    Green 35.39%
    Cocoa 34.31%
    Hazelnut 33.73%
    Pepper 32.44%
    Nutty 32.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.26 (weak acid)

    Molecular weight
    164.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 91.09 ˚C est.

  • Synonyms

    • 5-Isobutyl-2,3-dimethylpyrazine
    • 54410-83-2
    • 2,3-dimethyl-5-(2-methylpropyl)pyrazine
    • Pyrazine, 2,3-dimethyl-5-(2-methylpropyl)-
    • 5-Isobutyl-2,3-dimethyl-pyrazine
    • CHEMBL330169
    • SCHEMBL9953928
    • DTXSID40335949
    • HPAYBTQBMQPWCN-UHFFFAOYSA-N
    • Pyrazine, 2,3-dimethyl-5-isobutyl
    • AKOS006295223
    • 5-Isobutyl-2,3-dimethylpyrazine, 97%
    • DB-019782
    • NS00113953

  • Applications

    5-Isobutyl-2,3-dimethylpyrazine (CAS 54410-83-2) is primarily used as an aroma and flavor ingredient with roasted, nutty notes in fragrance and flavor formulations. In cosmetics and personal care, it serves as a fragrance ingredient; in household products such as cleaners and air fresheners, it functions as an odorant to enhance scent; in industrial manufacturing, it may serve as an intermediate in the synthesis of other pyrazine-based aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 243.78
    methanol 276.68
    isopropanol 177.01
    water 1.2
    ethyl acetate 177.53
    n-propanol 218.92
    acetone 198.57
    n-butanol 249.83
    acetonitrile 149.2
    DMF 294.41
    toluene 234.52
    isobutanol 212.67
    1,4-dioxane 421.35
    methyl acetate 176.32
    THF 635.6
    2-butanone 202.35
    n-pentanol 192.14
    sec-butanol 211.24
    n-hexane 131.25
    ethylene glycol 41.78
    NMP 412.48
    cyclohexane 217.66
    DMSO 201.55
    n-butyl acetate 362.28
    n-octanol 151.15
    chloroform 1218.93
    n-propyl acetate 135.53
    acetic acid 273.69
    dichloromethane 794.51
    cyclohexanone 480.42
    propylene glycol 76.96
    isopropyl acetate 127.86
    DMAc 307.97
    2-ethoxyethanol 148.79
    isopentanol 238.04
    n-heptane 94.69
    ethyl formate 178.29
    1,2-dichloroethane 368.2
    n-hexanol 392.3
    2-methoxyethanol 239.13
    isobutyl acetate 124.7
    tetrachloromethane 258.34
    n-pentyl acetate 167.91
    transcutol 444.71
    n-heptanol 159.61
    ethylbenzene 127.44
    MIBK 129.12
    2-propoxyethanol 340.36
    tert-butanol 217.9
    MTBE 234.47
    2-butoxyethanol 193.71
    propionic acid 181.06
    o-xylene 161.7
    formic acid 78.24
    diethyl ether 211.5
    m-xylene 158.31
    p-xylene 200.77
    chlorobenzene 335.98
    dimethyl carbonate 73.55
    n-octane 36.3
    formamide 68.08
    cyclopentanone 438.95
    2-pentanone 168.88
    anisole 155.19
    cyclopentyl methyl ether 318.71
    gamma-butyrolactone 445.12
    1-methoxy-2-propanol 174.43
    pyridine 414.27
    3-pentanone 157.73
    furfural 422.13
    n-dodecane 26.89
    diethylene glycol 187.19
    diisopropyl ether 86.56
    tert-amyl alcohol 234.38
    acetylacetone 168.26
    n-hexadecane 30.35
    acetophenone 158.36
    methyl propionate 138.5
    isopentyl acetate 310.15
    trichloroethylene 791.17
    n-nonanol 133.51
    cyclohexanol 312.03
    benzyl alcohol 163.26
    2-ethylhexanol 250.66
    isooctanol 124.13
    dipropyl ether 213.89
    1,2-dichlorobenzene 295.61
    ethyl lactate 81.66
    propylene carbonate 353.85
    n-methylformamide 119.07
    2-pentanol 169.58
    n-pentane 90.66
    1-propoxy-2-propanol 268.41
    1-methoxy-2-propyl acetate 218.69
    2-(2-methoxypropoxy) propanol 161.89
    mesitylene 108.7
    ε-caprolactone 378.6
    p-cymene 130.26
    epichlorohydrin 417.95
    1,1,1-trichloroethane 478.49
    2-aminoethanol 91.38
    morpholine-4-carbaldehyde 336.15
    sulfolane 436.32
    2,2,4-trimethylpentane 55.11
    2-methyltetrahydrofuran 484.28
    n-hexyl acetate 241.21
    isooctane 30.41
    2-(2-butoxyethoxy)ethanol 198.77
    sec-butyl acetate 105.34
    tert-butyl acetate 142.61
    decalin 76.5
    glycerin 89.38
    diglyme 321.2
    acrylic acid 162.1
    isopropyl myristate 101.39
    n-butyric acid 311.86
    acetyl acetate 150.87
    di(2-ethylhexyl) phthalate 118.39
    ethyl propionate 111.69
    nitromethane 212.83
    1,2-diethoxyethane 215.3
    benzonitrile 262.04
    trioctyl phosphate 86.2
    1-bromopropane 315.07
    gamma-valerolactone 474.4
    n-decanol 100.99
    triethyl phosphate 105.86
    4-methyl-2-pentanol 109.43
    propionitrile 184.15
    vinylene carbonate 314.0
    1,1,2-trichlorotrifluoroethane 331.27
    DMS 153.74
    cumene 107.29
    2-octanol 110.88
    2-hexanone 165.61
    octyl acetate 132.9
    limonene 196.5
    1,2-dimethoxyethane 268.56
    ethyl orthosilicate 113.6
    tributyl phosphate 104.9
    diacetone alcohol 144.09
    N,N-dimethylaniline 135.54
    acrylonitrile 173.35
    aniline 227.83
    1,3-propanediol 151.45
    bromobenzene 379.98
    dibromomethane 615.33
    1,1,2,2-tetrachloroethane 746.99
    2-methyl-cyclohexyl acetate 196.24
    tetrabutyl urea 123.63
    diisobutyl methanol 116.94
    2-phenylethanol 230.65
    styrene 147.61
    dioctyl adipate 138.09
    dimethyl sulfate 107.05
    ethyl butyrate 181.56
    methyl lactate 83.04
    butyl lactate 146.12
    diethyl carbonate 129.8
    propanediol butyl ether 159.13
    triethyl orthoformate 149.62
    p-tert-butyltoluene 124.27
    methyl 4-tert-butylbenzoate 154.64
    morpholine 426.15
    tert-butylamine 182.17
    n-dodecanol 80.37
    dimethoxymethane 158.68
    ethylene carbonate 271.71
    cyrene 157.13
    2-ethoxyethyl acetate 178.27
    2-ethylhexyl acetate 279.89
    1,2,4-trichlorobenzene 325.77
    4-methylpyridine 403.48
    dibutyl ether 178.47
    2,6-dimethyl-4-heptanol 116.94
    DEF 210.63
    dimethyl isosorbide 293.43
    tetrachloroethylene 523.61
    eugenol 154.61
    triacetin 165.17
    span 80 183.58
    1,4-butanediol 76.74
    1,1-dichloroethane 418.23
    2-methyl-1-pentanol 204.99
    methyl formate 119.82
    2-methyl-1-butanol 243.65
    n-decane 44.66
    butyronitrile 244.85
    3,7-dimethyl-1-octanol 148.86
    1-chlorooctane 133.04
    1-chlorotetradecane 56.34
    n-nonane 46.63
    undecane 33.13
    tert-butylcyclohexane 67.66
    cyclooctane 71.81
    cyclopentanol 288.04
    tetrahydropyran 496.2
    tert-amyl methyl ether 192.64
    2,5,8-trioxanonane 222.53
    1-hexene 237.18
    2-isopropoxyethanol 120.15
    2,2,2-trifluoroethanol 96.7
    methyl butyrate 168.01

    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