2-Methyl-3-pentylpyrazine

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  • Identifiers

    CAS number
    15987-02-7

    Molecular formula
    C10H16N2

    SMILES
    CCCCCC1=NC=CN=C1C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 57.04%
    Earthy 53.37%
    Green 52.34%
    Roasted 51.16%
    Musty 41.08%
    Vegetable 35.8%
    Burnt 35.4%
    Hazelnut 34.0%
    Cocoa 31.47%
    Sweet 30.06%

     

    Flavor
    Green 74.56%
    Earthy 53.27%
    Nutty 51.65%
    Herbal 49.76%
    Pepper 48.45%
    Fatty 41.15%
    Musty 40.19%
    Roasted 39.49%
    Vegetable 38.54%
    Raw 37.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.29 (weak acid)

    Molecular weight
    164.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 110.24 ˚C est.

  • Synonyms

    • 2-methyl-3-pentylpyrazine
    • 15987-02-7
    • RefChem:88097
    • QMXAEKJJOCHFOV-UHFFFAOYSA-N
    • methylpentylpyrazine
    • SCHEMBL293478
    • SCHEMBL293479
    • SCHEMBL30665021
    • DTXSID601312228
    • 15987-02-7

  • Applications

    2-Methyl-3-pentylpyrazine (CAS 15987-02-7) is primarily used as an odorant in fragrance applications, contributing nutty, roasted, or cocoa-like notes. It may be used in flavor formulations and aroma profiles for foods and beverages where permitted, and in cosmetics and personal care products to impart specific fragrance characteristics. In household and cleaning products, it serves as a scent ingredient to improve consumer perception. In industrial manufacturing, it can function as a fragrance intermediate or precursor for the development of additional aroma compounds. It may also be used in coatings, inks, and packaging formulations as a controlled odorant or scent additive, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1061.41
    methanol 1365.09
    isopropanol 555.64
    water 0.41
    ethyl acetate 1502.5
    n-propanol 828.6
    acetone 1903.75
    n-butanol 910.11
    acetonitrile 1097.84
    DMF 2035.77
    toluene 966.62
    isobutanol 614.52
    1,4-dioxane 1619.04
    methyl acetate 992.34
    THF 1852.13
    2-butanone 1300.09
    n-pentanol 539.23
    sec-butanol 552.42
    n-hexane 157.83
    ethylene glycol 141.01
    NMP 1634.37
    cyclohexane 343.21
    DMSO 2173.65
    n-butyl acetate 1876.77
    n-octanol 164.01
    chloroform 4160.76
    n-propyl acetate 766.76
    acetic acid 1145.74
    dichloromethane 4639.03
    cyclohexanone 2335.45
    propylene glycol 175.85
    isopropyl acetate 856.37
    DMAc 1336.57
    2-ethoxyethanol 657.79
    isopentanol 733.19
    n-heptane 87.91
    ethyl formate 987.68
    1,2-dichloroethane 3044.0
    n-hexanol 775.56
    2-methoxyethanol 1328.63
    isobutyl acetate 505.81
    tetrachloromethane 750.23
    n-pentyl acetate 553.91
    transcutol 2640.68
    n-heptanol 214.36
    ethylbenzene 313.34
    MIBK 571.47
    2-propoxyethanol 1055.24
    tert-butanol 690.6
    MTBE 975.25
    2-butoxyethanol 435.48
    propionic acid 721.42
    o-xylene 429.93
    formic acid 310.6
    diethyl ether 1353.11
    m-xylene 480.91
    p-xylene 409.59
    chlorobenzene 1508.77
    dimethyl carbonate 360.55
    n-octane 28.49
    formamide 456.62
    cyclopentanone 2013.01
    2-pentanone 1203.53
    anisole 540.24
    cyclopentyl methyl ether 1137.5
    gamma-butyrolactone 2113.04
    1-methoxy-2-propanol 785.2
    pyridine 1981.64
    3-pentanone 950.57
    furfural 1861.44
    n-dodecane 19.74
    diethylene glycol 583.78
    diisopropyl ether 306.01
    tert-amyl alcohol 632.38
    acetylacetone 1203.71
    n-hexadecane 24.1
    acetophenone 508.61
    methyl propionate 976.01
    isopentyl acetate 1301.39
    trichloroethylene 4935.24
    n-nonanol 151.14
    cyclohexanol 877.77
    benzyl alcohol 483.31
    2-ethylhexanol 510.63
    isooctanol 176.51
    dipropyl ether 684.6
    1,2-dichlorobenzene 1232.54
    ethyl lactate 229.17
    propylene carbonate 1246.16
    n-methylformamide 863.51
    2-pentanol 497.35
    n-pentane 135.98
    1-propoxy-2-propanol 784.23
    1-methoxy-2-propyl acetate 954.05
    2-(2-methoxypropoxy) propanol 359.09
    mesitylene 276.23
    ε-caprolactone 1622.03
    p-cymene 229.89
    epichlorohydrin 2340.39
    1,1,1-trichloroethane 2262.13
    2-aminoethanol 320.05
    morpholine-4-carbaldehyde 1339.68
    sulfolane 2261.29
    2,2,4-trimethylpentane 74.68
    2-methyltetrahydrofuran 1630.33
    n-hexyl acetate 601.54
    isooctane 48.31
    2-(2-butoxyethoxy)ethanol 541.27
    sec-butyl acetate 509.03
    tert-butyl acetate 751.52
    decalin 120.4
    glycerin 257.48
    diglyme 1119.17
    acrylic acid 635.88
    isopropyl myristate 198.24
    n-butyric acid 1479.71
    acetyl acetate 882.08
    di(2-ethylhexyl) phthalate 205.06
    ethyl propionate 620.87
    nitromethane 1781.98
    1,2-diethoxyethane 1274.79
    benzonitrile 948.19
    trioctyl phosphate 139.53
    1-bromopropane 1660.5
    gamma-valerolactone 2207.11
    n-decanol 114.09
    triethyl phosphate 263.54
    4-methyl-2-pentanol 262.46
    propionitrile 958.09
    vinylene carbonate 1089.85
    1,1,2-trichlorotrifluoroethane 1386.54
    DMS 511.81
    cumene 195.33
    2-octanol 137.35
    2-hexanone 715.48
    octyl acetate 244.88
    limonene 407.31
    1,2-dimethoxyethane 1286.33
    ethyl orthosilicate 290.24
    tributyl phosphate 233.8
    diacetone alcohol 569.02
    N,N-dimethylaniline 330.49
    acrylonitrile 1096.5
    aniline 1068.92
    1,3-propanediol 567.98
    bromobenzene 1814.53
    dibromomethane 2959.61
    1,1,2,2-tetrachloroethane 3480.55
    2-methyl-cyclohexyl acetate 460.36
    tetrabutyl urea 266.73
    diisobutyl methanol 241.85
    2-phenylethanol 588.38
    styrene 490.04
    dioctyl adipate 281.21
    dimethyl sulfate 558.73
    ethyl butyrate 827.64
    methyl lactate 305.05
    butyl lactate 360.99
    diethyl carbonate 482.53
    propanediol butyl ether 313.22
    triethyl orthoformate 497.45
    p-tert-butyltoluene 213.03
    methyl 4-tert-butylbenzoate 314.03
    morpholine 1778.3
    tert-butylamine 492.42
    n-dodecanol 91.56
    dimethoxymethane 1076.1
    ethylene carbonate 1033.87
    cyrene 321.61
    2-ethoxyethyl acetate 753.89
    2-ethylhexyl acetate 1025.46
    1,2,4-trichlorobenzene 1261.89
    4-methylpyridine 1994.3
    dibutyl ether 435.83
    2,6-dimethyl-4-heptanol 241.85
    DEF 1483.99
    dimethyl isosorbide 696.52
    tetrachloroethylene 2520.11
    eugenol 342.28
    triacetin 401.92
    span 80 330.67
    1,4-butanediol 215.74
    1,1-dichloroethane 2452.38
    2-methyl-1-pentanol 547.86
    methyl formate 728.76
    2-methyl-1-butanol 740.82
    n-decane 33.02
    butyronitrile 1160.04
    3,7-dimethyl-1-octanol 223.52
    1-chlorooctane 186.22
    1-chlorotetradecane 70.19
    n-nonane 33.17
    undecane 24.59
    tert-butylcyclohexane 99.35
    cyclooctane 86.35
    cyclopentanol 679.5
    tetrahydropyran 1884.76
    tert-amyl methyl ether 662.21
    2,5,8-trioxanonane 634.41
    1-hexene 540.98
    2-isopropoxyethanol 438.04
    2,2,2-trifluoroethanol 344.28
    methyl butyrate 955.62

    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