2-Butyl-3,6-dimethylpyrazine

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  • Identifiers

    CAS number
    40790-29-2

    Molecular formula
    C10H16N2

    SMILES
    CCCCC1=NC(=CN=C1C)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 58.78%
    Roasted 54.87%
    Earthy 52.13%
    Burnt 45.99%
    Musty 43.84%
    Hazelnut 42.45%
    Cocoa 40.75%
    Sweet 35.71%
    Chocolate 34.27%
    Coffee 31.75%

     

    Flavor
    Earthy 55.53%
    Nutty 53.14%
    Roasted 50.83%
    Musty 44.43%
    Meaty 43.32%
    Potato 41.71%
    Green 39.32%
    Hazelnut 39.03%
    Vegetable 36.74%
    Burnt 36.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.03 (weak acid)

    Molecular weight
    164.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 93.39 ˚C est.

  • Synonyms

    • 3-Butyl-2,5-dimethylpyrazine
    • 2,5-Dimethyl-3-butylpyrazine
    • 2-butyl-3,6-dimethylpyrazine
    • Pyrazine, 3-butyl-2,5-dimethyl-
    • RefChem:86027
    • UWJKKFNWVRAFPM-UHFFFAOYSA-N
    • 40790-29-2
    • SCHEMBL10392527
    • SCHEMBL29365049
    • CHEBI:198442
    • DB-117186
    • NS00114097
    • 40790-29-2

  • Applications

    2-Butyl-3,6-dimethylpyrazine (CAS 40790-29-2) is a pyrazine with a distinctive aroma, commonly used as an odorant/fragrance ingredient in perfumery and flavor applications and may be used as a flavor/aroma additive in food applications; it is often employed in cosmetics/personal care products to impart or enhance fragrance, and in household products such as cleaners and air fresheners for scenting; in industrial manufacturing it can serve as an intermediate for the synthesis of other pyrazine-based aroma compounds used to develop complex fragrance profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 461.15
    methanol 495.67
    isopropanol 329.01
    water 0.7
    ethyl acetate 409.65
    n-propanol 413.63
    acetone 481.95
    n-butanol 448.35
    acetonitrile 293.9
    DMF 686.29
    toluene 387.95
    isobutanol 391.38
    1,4-dioxane 674.77
    methyl acetate 353.17
    THF 929.84
    2-butanone 441.29
    n-pentanol 353.12
    sec-butanol 383.31
    n-hexane 133.75
    ethylene glycol 80.14
    NMP 700.06
    cyclohexane 221.51
    DMSO 560.95
    n-butyl acetate 724.1
    n-octanol 234.78
    chloroform 2192.76
    n-propyl acetate 299.54
    acetic acid 420.03
    dichloromethane 1783.83
    cyclohexanone 881.67
    propylene glycol 125.67
    isopropyl acetate 280.27
    DMAc 601.82
    2-ethoxyethanol 298.07
    isopentanol 422.43
    n-heptane 97.96
    ethyl formate 376.73
    1,2-dichloroethane 893.66
    n-hexanol 561.34
    2-methoxyethanol 467.96
    isobutyl acetate 253.04
    tetrachloromethane 417.07
    n-pentyl acetate 322.22
    transcutol 815.49
    n-heptanol 245.41
    ethylbenzene 218.87
    MIBK 260.34
    2-propoxyethanol 524.81
    tert-butanol 374.93
    MTBE 444.13
    2-butoxyethanol 320.83
    propionic acid 315.38
    o-xylene 244.21
    formic acid 114.2
    diethyl ether 414.66
    m-xylene 256.78
    p-xylene 302.61
    chlorobenzene 646.28
    dimethyl carbonate 146.72
    n-octane 47.88
    formamide 118.9
    cyclopentanone 820.94
    2-pentanone 376.29
    anisole 283.33
    cyclopentyl methyl ether 481.73
    gamma-butyrolactone 851.31
    1-methoxy-2-propanol 343.59
    pyridine 762.92
    3-pentanone 315.36
    furfural 799.07
    n-dodecane 40.67
    diethylene glycol 303.32
    diisopropyl ether 140.95
    tert-amyl alcohol 390.48
    acetylacetone 389.12
    n-hexadecane 46.02
    acetophenone 289.0
    methyl propionate 299.72
    isopentyl acetate 619.11
    trichloroethylene 1675.8
    n-nonanol 198.82
    cyclohexanol 450.22
    benzyl alcohol 281.61
    2-ethylhexanol 378.3
    isooctanol 196.31
    dipropyl ether 329.04
    1,2-dichlorobenzene 561.19
    ethyl lactate 143.95
    propylene carbonate 620.26
    n-methylformamide 266.36
    2-pentanol 289.07
    n-pentane 102.49
    1-propoxy-2-propanol 428.51
    1-methoxy-2-propyl acetate 391.79
    2-(2-methoxypropoxy) propanol 257.35
    mesitylene 165.21
    ε-caprolactone 653.05
    p-cymene 191.24
    epichlorohydrin 865.26
    1,1,1-trichloroethane 898.92
    2-aminoethanol 170.98
    morpholine-4-carbaldehyde 588.57
    sulfolane 854.65
    2,2,4-trimethylpentane 72.47
    2-methyltetrahydrofuran 732.86
    n-hexyl acetate 414.9
    isooctane 45.54
    2-(2-butoxyethoxy)ethanol 323.53
    sec-butyl acetate 211.81
    tert-butyl acetate 274.27
    decalin 100.21
    glycerin 158.6
    diglyme 552.83
    acrylic acid 265.83
    isopropyl myristate 164.47
    n-butyric acid 572.54
    acetyl acetate 296.9
    di(2-ethylhexyl) phthalate 181.15
    ethyl propionate 230.91
    nitromethane 438.8
    1,2-diethoxyethane 414.86
    benzonitrile 504.84
    trioctyl phosphate 134.29
    1-bromopropane 660.45
    gamma-valerolactone 850.95
    n-decanol 150.74
    triethyl phosphate 164.23
    4-methyl-2-pentanol 180.78
    propionitrile 374.53
    vinylene carbonate 564.21
    1,1,2-trichlorotrifluoroethane 555.73
    DMS 271.76
    cumene 167.7
    2-octanol 178.36
    2-hexanone 349.97
    octyl acetate 211.66
    limonene 284.59
    1,2-dimethoxyethane 563.93
    ethyl orthosilicate 169.64
    tributyl phosphate 169.55
    diacetone alcohol 265.84
    N,N-dimethylaniline 235.76
    acrylonitrile 383.59
    aniline 389.2
    1,3-propanediol 276.94
    bromobenzene 753.73
    dibromomethane 1268.82
    1,1,2,2-tetrachloroethane 1444.69
    2-methyl-cyclohexyl acetate 287.0
    tetrabutyl urea 205.38
    diisobutyl methanol 174.84
    2-phenylethanol 364.05
    styrene 277.1
    dioctyl adipate 224.24
    dimethyl sulfate 232.1
    ethyl butyrate 348.22
    methyl lactate 153.5
    butyl lactate 248.52
    diethyl carbonate 238.9
    propanediol butyl ether 271.59
    triethyl orthoformate 244.91
    p-tert-butyltoluene 175.3
    methyl 4-tert-butylbenzoate 253.24
    morpholine 668.99
    tert-butylamine 304.33
    n-dodecanol 121.88
    dimethoxymethane 361.07
    ethylene carbonate 487.44
    cyrene 238.21
    2-ethoxyethyl acetate 329.76
    2-ethylhexyl acetate 489.96
    1,2,4-trichlorobenzene 576.42
    4-methylpyridine 788.8
    dibutyl ether 304.35
    2,6-dimethyl-4-heptanol 174.84
    DEF 508.16
    dimethyl isosorbide 442.28
    tetrachloroethylene 977.67
    eugenol 266.44
    triacetin 262.33
    span 80 263.97
    1,4-butanediol 146.08
    1,1-dichloroethane 913.66
    2-methyl-1-pentanol 361.44
    methyl formate 265.94
    2-methyl-1-butanol 438.68
    n-decane 64.83
    butyronitrile 506.09
    3,7-dimethyl-1-octanol 226.69
    1-chlorooctane 219.78
    1-chlorotetradecane 92.1
    n-nonane 66.53
    undecane 50.02
    tert-butylcyclohexane 91.29
    cyclooctane 71.16
    cyclopentanol 414.9
    tetrahydropyran 783.71
    tert-amyl methyl ether 342.33
    2,5,8-trioxanonane 374.02
    1-hexene 334.78
    2-isopropoxyethanol 230.9
    2,2,2-trifluoroethanol 133.09
    methyl butyrate 374.83

    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