2-Butyl-5,6-dihydro-3-methylpyrazine

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  • Identifiers

    CAS number
    15986-96-6

    Molecular formula
    C9H16N2

    SMILES
    CCCCC1=NCCN=C1C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 70.38%
    Roasted 67.52%
    Earthy 45.53%
    Meaty 43.45%
    Musty 40.01%
    Popcorn 39.77%
    Cocoa 35.94%
    Potato 35.84%
    Hazelnut 35.74%
    Vegetable 34.79%

     

    Flavor
    Green 48.86%
    Herbal 43.1%
    Roasted 40.47%
    Nutty 39.91%
    Earthy 37.22%
    Pepper 29.85%
    Spicy 28.48%
    Musty 28.12%
    Meaty 27.79%
    Woody 27.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.41 (neutral)

    Molecular weight
    152.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 98.79 ˚C est.

  • Synonyms

    • 2-Butyl-5,6-dihydro-3-methylpyrazine
    • 15986-96-6
    • EINECS 240-124-4
    • J6AJ22VUT4
    • DTXSID40166755
    • Pyrazine, 2-butyl-5,6-dihydro-3-methyl-
    • RefChem:86037
    • DTXCID8089246
    • 240-124-4
    • 5-butyl-6-methyl-2,3-dihydropyrazine
    • UNII-J6AJ22VUT4
    • SCHEMBL28846554
    • PATGXOSMIGXGKT-UHFFFAOYSA-N
    • DB-260868
    • NS00025205
    • 15986-96-6

  • Applications

    2-Butyl-5,6-dihydro-3-methylpyrazine is primarily used as an odorant in fragrance formulations, contributing roasted and nutty notes typical of pyrazine derivatives; it is also evaluated as a fragrance ingredient for cosmetics and personal care products, and may serve as a scent component in household cleaning products. In industrial manufacturing, it can function as an intermediate in the synthesis of specialty chemicals. Additionally, it is sometimes explored for flavor/aroma applications in limited formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 272.02
    methanol 317.09
    isopropanol 172.96
    water 0.52
    ethyl acetate 309.06
    n-propanol 216.62
    acetone 304.53
    n-butanol 241.1
    acetonitrile 315.34
    DMF 377.32
    toluene 409.01
    isobutanol 171.97
    1,4-dioxane 587.26
    methyl acetate 268.5
    THF 747.51
    2-butanone 307.09
    n-pentanol 162.64
    sec-butanol 174.49
    n-hexane 55.71
    ethylene glycol 63.92
    NMP 529.18
    cyclohexane 180.15
    DMSO 491.74
    n-butyl acetate 460.9
    n-octanol 136.67
    chloroform 2253.08
    n-propyl acetate 217.83
    acetic acid 455.48
    dichloromethane 1874.4
    cyclohexanone 669.66
    propylene glycol 75.98
    isopropyl acetate 182.41
    DMAc 341.2
    2-ethoxyethanol 194.57
    isopentanol 210.63
    n-heptane 71.97
    ethyl formate 293.56
    1,2-dichloroethane 809.41
    n-hexanol 275.67
    2-methoxyethanol 317.32
    isobutyl acetate 149.81
    tetrachloromethane 413.35
    n-pentyl acetate 221.65
    transcutol 793.98
    n-heptanol 126.49
    ethylbenzene 172.04
    MIBK 137.85
    2-propoxyethanol 343.87
    tert-butanol 214.95
    MTBE 195.57
    2-butoxyethanol 202.46
    propionic acid 261.08
    o-xylene 204.08
    formic acid 122.79
    diethyl ether 245.65
    m-xylene 206.17
    p-xylene 216.48
    chlorobenzene 707.65
    dimethyl carbonate 107.74
    n-octane 27.99
    formamide 132.29
    cyclopentanone 655.65
    2-pentanone 231.56
    anisole 259.35
    cyclopentyl methyl ether 351.08
    gamma-butyrolactone 738.61
    1-methoxy-2-propanol 214.81
    pyridine 850.88
    3-pentanone 218.67
    furfural 815.01
    n-dodecane 25.79
    diethylene glycol 225.37
    diisopropyl ether 73.91
    tert-amyl alcohol 188.16
    acetylacetone 269.7
    n-hexadecane 29.93
    acetophenone 250.8
    methyl propionate 220.27
    isopentyl acetate 335.08
    trichloroethylene 1778.74
    n-nonanol 118.7
    cyclohexanol 304.26
    benzyl alcohol 240.76
    2-ethylhexanol 192.42
    isooctanol 105.78
    dipropyl ether 228.04
    1,2-dichlorobenzene 597.11
    ethyl lactate 116.64
    propylene carbonate 509.22
    n-methylformamide 207.38
    2-pentanol 135.9
    n-pentane 59.42
    1-propoxy-2-propanol 267.25
    1-methoxy-2-propyl acetate 271.16
    2-(2-methoxypropoxy) propanol 212.95
    mesitylene 129.41
    ε-caprolactone 528.86
    p-cymene 144.84
    epichlorohydrin 775.67
    1,1,1-trichloroethane 835.71
    2-aminoethanol 112.53
    morpholine-4-carbaldehyde 473.79
    sulfolane 792.76
    2,2,4-trimethylpentane 32.03
    2-methyltetrahydrofuran 559.67
    n-hexyl acetate 295.26
    isooctane 21.33
    2-(2-butoxyethoxy)ethanol 261.1
    sec-butyl acetate 138.97
    tert-butyl acetate 173.99
    decalin 64.86
    glycerin 114.14
    diglyme 476.17
    acrylic acid 281.58
    isopropyl myristate 126.74
    n-butyric acid 425.01
    acetyl acetate 263.72
    di(2-ethylhexyl) phthalate 146.14
    ethyl propionate 175.58
    nitromethane 453.45
    1,2-diethoxyethane 340.43
    benzonitrile 524.77
    trioctyl phosphate 99.68
    1-bromopropane 527.94
    gamma-valerolactone 686.31
    n-decanol 91.28
    triethyl phosphate 140.96
    4-methyl-2-pentanol 87.33
    propionitrile 312.96
    vinylene carbonate 534.1
    1,1,2-trichlorotrifluoroethane 580.05
    DMS 216.01
    cumene 114.64
    2-octanol 87.41
    2-hexanone 213.97
    octyl acetate 157.57
    limonene 215.86
    1,2-dimethoxyethane 377.84
    ethyl orthosilicate 130.47
    tributyl phosphate 131.41
    diacetone alcohol 175.25
    N,N-dimethylaniline 176.12
    acrylonitrile 371.05
    aniline 407.8
    1,3-propanediol 176.66
    bromobenzene 870.82
    dibromomethane 1235.58
    1,1,2,2-tetrachloroethane 1302.52
    2-methyl-cyclohexyl acetate 219.68
    tetrabutyl urea 155.91
    diisobutyl methanol 113.24
    2-phenylethanol 281.23
    styrene 260.08
    dioctyl adipate 194.19
    dimethyl sulfate 183.79
    ethyl butyrate 284.54
    methyl lactate 124.05
    butyl lactate 172.81
    diethyl carbonate 200.17
    propanediol butyl ether 175.51
    triethyl orthoformate 197.63
    p-tert-butyltoluene 131.76
    methyl 4-tert-butylbenzoate 208.2
    morpholine 529.8
    tert-butylamine 160.4
    n-dodecanol 75.6
    dimethoxymethane 231.23
    ethylene carbonate 410.61
    cyrene 193.41
    2-ethoxyethyl acetate 255.58
    2-ethylhexyl acetate 289.75
    1,2,4-trichlorobenzene 639.79
    4-methylpyridine 740.95
    dibutyl ether 216.02
    2,6-dimethyl-4-heptanol 113.24
    DEF 302.82
    dimethyl isosorbide 371.93
    tetrachloroethylene 944.7
    eugenol 216.1
    triacetin 252.42
    span 80 228.77
    1,4-butanediol 78.24
    1,1-dichloroethane 785.22
    2-methyl-1-pentanol 163.8
    methyl formate 199.0
    2-methyl-1-butanol 199.79
    n-decane 40.29
    butyronitrile 367.13
    3,7-dimethyl-1-octanol 146.85
    1-chlorooctane 142.7
    1-chlorotetradecane 63.9
    n-nonane 39.67
    undecane 30.93
    tert-butylcyclohexane 50.5
    cyclooctane 52.85
    cyclopentanol 285.3
    tetrahydropyran 592.37
    tert-amyl methyl ether 148.3
    2,5,8-trioxanonane 347.7
    1-hexene 162.78
    2-isopropoxyethanol 135.07
    2,2,2-trifluoroethanol 128.64
    methyl butyrate 268.38

    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