2-Butyl-3-methylpyrazine

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  • Identifiers

    CAS number
    15987-00-5

    Molecular formula
    C9H14N2

    SMILES
    CCCCC1=NC=CN=C1C

  • Odor profile

    Fragrance
    Nutty 64.05%
    Earthy 58.35%
    Roasted 57.58%
    Green 48.86%
    Musty 46.78%
    Hazelnut 41.1%
    Cocoa 39.93%
    Burnt 39.66%
    Vegetable 36.17%
    Potato 36.07%

     

    Flavor
    Green 75.82%
    Nutty 64.72%
    Earthy 57.34%
    Pepper 48.77%
    Vegetable 44.36%
    Roasted 43.99%
    Musty 43.76%
    Raw 43.47%
    Herbal 41.55%
    Fatty 39.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    4.75 (weak acid)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point

    • 93.22 ˚C est.

  • Synonyms

    • 2-Butyl-3-methylpyrazine
    • 15987-00-5
    • 2-n-Butyl-3-methylpyrazine
    • Pyrazine, 2-butyl-3-methyl-
    • SLG6RBP4ZT
    • EINECS 240-126-5
    • UNII-SLG6RBP4ZT
    • DTXSID0065987
    • IRSIKJPEFMMRHD-UHFFFAOYSA-
    • 2-METHYL-3-BUTYL-PYRAZINE
    • MFCD00038031
    • 2-Methyl-3- butylpyrazine
    • SCHEMBL293872
    • DTXCID2035146
    • 2-METHYL-3-BUTYLPYRAZINE
    • 2-BUTYL-3-METHYL PYRAZINE
    • AKOS015839703
    • AS-10574
    • DB-116654
    • B1173
    • CS-0324258
    • NS00021713

  • Applications

    2-Butyl-3-methylpyrazine (CAS 15987-00-5) is primarily used as an aroma/odorant in perfumery and flavor applications, providing roasted and nutty notes such as cocoa-like profiles in fragrance formulas and food formulations. It is commonly used as an intermediate in the synthesis of other pyrazine-based flavor and fragrance compounds, enabling development of broader scent and taste profiles. In cosmetics and personal care, it may function as a fragrance ingredient contributing to product scent. In household products, it is used to impart distinctive aromas in cleaners and air fresheners. In industrial manufacturing, it can serve as a minor fragrance additive or odorant in polymers or coatings where scent is desired, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 476.66
    methanol 540.95
    isopropanol 274.85
    water 0.75
    ethyl acetate 360.97
    n-propanol 370.7
    acetone 403.51
    n-butanol 369.72
    acetonitrile 347.17
    DMF 606.99
    toluene 305.19
    isobutanol 300.2
    1,4-dioxane 556.56
    methyl acetate 288.53
    THF 664.0
    2-butanone 337.21
    n-pentanol 268.23
    sec-butanol 275.18
    n-hexane 52.06
    ethylene glycol 80.83
    NMP 595.37
    cyclohexane 137.97
    DMSO 629.12
    n-butyl acetate 615.03
    n-octanol 130.56
    chloroform 1976.54
    n-propyl acetate 244.5
    acetic acid 503.76
    dichloromethane 1933.67
    cyclohexanone 734.92
    propylene glycol 105.68
    isopropyl acetate 201.66
    DMAc 444.01
    2-ethoxyethanol 249.1
    isopentanol 287.3
    n-heptane 62.17
    ethyl formate 403.59
    1,2-dichloroethane 894.97
    n-hexanol 395.82
    2-methoxyethanol 429.34
    isobutyl acetate 174.98
    tetrachloromethane 367.83
    n-pentyl acetate 228.78
    transcutol 763.6
    n-heptanol 152.66
    ethylbenzene 135.28
    MIBK 152.72
    2-propoxyethanol 413.55
    tert-butanol 286.18
    MTBE 245.94
    2-butoxyethanol 225.44
    propionic acid 322.63
    o-xylene 173.52
    formic acid 152.87
    diethyl ether 281.86
    m-xylene 171.38
    p-xylene 193.82
    chlorobenzene 606.77
    dimethyl carbonate 107.6
    n-octane 24.11
    formamide 173.08
    cyclopentanone 631.82
    2-pentanone 264.83
    anisole 205.13
    cyclopentyl methyl ether 331.37
    gamma-butyrolactone 768.4
    1-methoxy-2-propanol 278.14
    pyridine 799.85
    3-pentanone 215.93
    furfural 768.52
    n-dodecane 20.21
    diethylene glycol 260.34
    diisopropyl ether 77.81
    tert-amyl alcohol 258.66
    acetylacetone 284.88
    n-hexadecane 23.4
    acetophenone 215.46
    methyl propionate 246.97
    isopentyl acetate 429.15
    trichloroethylene 1658.5
    n-nonanol 111.54
    cyclohexanol 363.83
    benzyl alcohol 217.38
    2-ethylhexanol 250.52
    isooctanol 116.41
    dipropyl ether 234.67
    1,2-dichlorobenzene 518.07
    ethyl lactate 103.89
    propylene carbonate 560.43
    n-methylformamide 315.64
    2-pentanol 192.04
    n-pentane 51.57
    1-propoxy-2-propanol 322.32
    1-methoxy-2-propyl acetate 305.39
    2-(2-methoxypropoxy) propanol 179.78
    mesitylene 105.9
    ε-caprolactone 555.03
    p-cymene 130.02
    epichlorohydrin 760.74
    1,1,1-trichloroethane 809.34
    2-aminoethanol 167.98
    morpholine-4-carbaldehyde 499.37
    sulfolane 766.13
    2,2,4-trimethylpentane 33.3
    2-methyltetrahydrofuran 531.74
    n-hexyl acetate 262.67
    isooctane 20.67
    2-(2-butoxyethoxy)ethanol 240.03
    sec-butyl acetate 145.57
    tert-butyl acetate 182.45
    decalin 53.6
    glycerin 136.12
    diglyme 441.55
    acrylic acid 277.91
    isopropyl myristate 99.18
    n-butyric acid 561.54
    acetyl acetate 232.31
    di(2-ethylhexyl) phthalate 121.36
    ethyl propionate 179.93
    nitromethane 541.26
    1,2-diethoxyethane 347.48
    benzonitrile 466.17
    trioctyl phosphate 88.53
    1-bromopropane 565.13
    gamma-valerolactone 728.98
    n-decanol 85.07
    triethyl phosphate 127.4
    4-methyl-2-pentanol 107.26
    propionitrile 365.64
    vinylene carbonate 538.51
    1,1,2-trichlorotrifluoroethane 521.69
    DMS 187.28
    cumene 98.35
    2-octanol 97.16
    2-hexanone 231.19
    octyl acetate 131.25
    limonene 206.97
    1,2-dimethoxyethane 443.09
    ethyl orthosilicate 129.04
    tributyl phosphate 116.07
    diacetone alcohol 182.85
    N,N-dimethylaniline 152.95
    acrylonitrile 419.99
    aniline 373.81
    1,3-propanediol 265.54
    bromobenzene 684.24
    dibromomethane 1225.79
    1,1,2,2-tetrachloroethane 1274.05
    2-methyl-cyclohexyl acetate 205.18
    tetrabutyl urea 147.58
    diisobutyl methanol 117.44
    2-phenylethanol 279.42
    styrene 192.77
    dioctyl adipate 152.77
    dimethyl sulfate 172.27
    ethyl butyrate 312.3
    methyl lactate 121.98
    butyl lactate 168.79
    diethyl carbonate 206.04
    propanediol butyl ether 175.69
    triethyl orthoformate 205.1
    p-tert-butyltoluene 114.36
    methyl 4-tert-butylbenzoate 175.93
    morpholine 594.81
    tert-butylamine 213.34
    n-dodecanol 69.19
    dimethoxymethane 281.54
    ethylene carbonate 462.12
    cyrene 166.23
    2-ethoxyethyl acetate 253.15
    2-ethylhexyl acetate 340.58
    1,2,4-trichlorobenzene 515.87
    4-methylpyridine 698.46
    dibutyl ether 188.93
    2,6-dimethyl-4-heptanol 117.44
    DEF 393.23
    dimethyl isosorbide 332.73
    tetrachloroethylene 936.09
    eugenol 185.44
    triacetin 179.35
    span 80 186.83
    1,4-butanediol 117.67
    1,1-dichloroethane 825.78
    2-methyl-1-pentanol 234.85
    methyl formate 285.24
    2-methyl-1-butanol 300.98
    n-decane 30.98
    butyronitrile 436.23
    3,7-dimethyl-1-octanol 128.52
    1-chlorooctane 123.57
    1-chlorotetradecane 52.84
    n-nonane 30.97
    undecane 24.3
    tert-butylcyclohexane 45.12
    cyclooctane 37.29
    cyclopentanol 339.87
    tetrahydropyran 598.63
    tert-amyl methyl ether 180.77
    2,5,8-trioxanonane 300.39
    1-hexene 184.01
    2-isopropoxyethanol 166.45
    2,2,2-trifluoroethanol 143.24
    methyl butyrate 301.36

    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