2-Isopropyl-3-methylpyrazine

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  • Identifiers

    CAS number
    15986-81-9

    Molecular formula
    C8H12N2

    SMILES
    CC1=NC=CN=C1C(C)C

  • Odor profile

    Fragrance
    Nutty 73.1%
    Green 69.79%
    Earthy 67.65%
    Roasted 64.18%
    Musty 49.43%
    Cocoa 48.58%
    Vegetable 48.14%
    Potato 48.08%
    Coffee 45.92%
    Hazelnut 45.75%

     

    Flavor
    Green 68.9%
    Earthy 60.48%
    Nutty 51.78%
    Earth 44.81%
    Musty 43.7%
    Hazelnut 42.05%
    Pepper 41.87%
    Vegetable 41.37%
    Roasted 39.94%
    Raw 37.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    4.79 (weak acid)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    196°C

    Flash point

    • 73.73 ˚C est.

  • Synonyms

    • 2-Isopropyl-3-methylpyrazine
    • 15986-81-9
    • 2-Methyl-3-isopropylpyrazine
    • Pyrazine, 2-methyl-3-(1-methylethyl)-
    • 2-methyl-3-propan-2-ylpyrazine
    • 2-methyl-3-(propan-2-yl)pyrazine
    • 3-Isopropyl-2-methylpyrazine
    • 2-Isopropyl-3-methyl-pyrazine
    • CHEMBL275759
    • SCHEMBL2550967
    • SCHEMBL4729929
    • 2-Isopropyl-3-methylpyrazine #
    • 2-Methyl-3-iso-propyl pyrazine
    • Pyrazine, 2-methyl-3-isopropyl
    • DTXSID70333918
    • LNSYLBDZKBWDNL-UHFFFAOYSA-N
    • QAA98681
    • Pyrazine, 2-methyl-3-(1-methylethyl)
    • DB-314114
    • NS00113890
    • G92046
    • Q63409484

  • Applications

    2-Isopropyl-3-methylpyrazine (CAS 15986-81-9) is a fragrance-grade pyrazine with roasted and nutty notes, used as an aroma ingredient in a range of industrial formulations. In perfumery/fragrance, it serves as an odorant contributing roasted and nutty character and may function as a fixative depending on formulation. In the flavor industry, it is evaluated for enhancing roasted and coffee-like notes in foods and beverages. In cosmetics/personal care, it can be included as a fragrance additive in perfumes, lotions, and other personal care products. In household products, it can be used to impart a roasted aroma in cleaners and air fresheners. In industrial manufacturing, it can act as an intermediate or building block for synthesizing other pyrazine derivatives, and may be considered for coatings and inks and other formulations to add aroma dimension. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 553.44
    methanol 868.36
    isopropanol 357.05
    water 6.7
    ethyl acetate 562.09
    n-propanol 476.51
    acetone 690.25
    n-butanol 441.92
    acetonitrile 645.03
    DMF 685.82
    toluene 462.33
    isobutanol 370.01
    1,4-dioxane 978.53
    methyl acetate 532.09
    THF 1357.33
    2-butanone 605.19
    n-pentanol 350.86
    sec-butanol 386.48
    n-hexane 230.16
    ethylene glycol 124.45
    NMP 1075.37
    cyclohexane 255.04
    DMSO 694.07
    n-butyl acetate 681.13
    n-octanol 247.88
    chloroform 2089.84
    n-propyl acetate 408.61
    acetic acid 570.89
    dichloromethane 2018.43
    cyclohexanone 1111.9
    propylene glycol 127.08
    isopropyl acetate 349.32
    DMAc 532.43
    2-ethoxyethanol 372.86
    isopentanol 365.63
    n-heptane 146.23
    ethyl formate 497.8
    1,2-dichloroethane 1128.98
    n-hexanol 498.45
    2-methoxyethanol 545.64
    isobutyl acetate 281.91
    tetrachloromethane 626.04
    n-pentyl acetate 397.52
    transcutol 753.55
    n-heptanol 244.47
    ethylbenzene 238.1
    MIBK 319.35
    2-propoxyethanol 583.68
    tert-butanol 382.44
    MTBE 493.14
    2-butoxyethanol 330.21
    propionic acid 435.84
    o-xylene 285.84
    formic acid 235.99
    diethyl ether 695.43
    m-xylene 318.0
    p-xylene 321.26
    chlorobenzene 740.12
    dimethyl carbonate 215.6
    n-octane 63.19
    formamide 217.53
    cyclopentanone 1173.57
    2-pentanone 522.3
    anisole 344.37
    cyclopentyl methyl ether 805.91
    gamma-butyrolactone 1348.6
    1-methoxy-2-propanol 372.38
    pyridine 771.87
    3-pentanone 482.78
    furfural 1022.54
    n-dodecane 41.74
    diethylene glycol 333.74
    diisopropyl ether 225.13
    tert-amyl alcohol 389.07
    acetylacetone 470.24
    n-hexadecane 48.54
    acetophenone 323.77
    methyl propionate 448.45
    isopentyl acetate 533.26
    trichloroethylene 1904.6
    n-nonanol 197.26
    cyclohexanol 514.97
    benzyl alcohol 276.83
    2-ethylhexanol 342.09
    isooctanol 192.17
    dipropyl ether 412.81
    1,2-dichlorobenzene 665.46
    ethyl lactate 164.4
    propylene carbonate 756.79
    n-methylformamide 451.37
    2-pentanol 312.04
    n-pentane 171.8
    1-propoxy-2-propanol 400.09
    1-methoxy-2-propyl acetate 403.36
    2-(2-methoxypropoxy) propanol 219.47
    mesitylene 219.18
    ε-caprolactone 882.12
    p-cymene 196.83
    epichlorohydrin 1298.2
    1,1,1-trichloroethane 1204.34
    2-aminoethanol 201.62
    morpholine-4-carbaldehyde 821.29
    sulfolane 1503.27
    2,2,4-trimethylpentane 97.59
    2-methyltetrahydrofuran 1130.59
    n-hexyl acetate 498.72
    isooctane 64.52
    2-(2-butoxyethoxy)ethanol 307.59
    sec-butyl acetate 261.53
    tert-butyl acetate 380.71
    decalin 123.25
    glycerin 170.22
    diglyme 591.11
    acrylic acid 402.03
    isopropyl myristate 170.07
    n-butyric acid 565.05
    acetyl acetate 356.04
    di(2-ethylhexyl) phthalate 163.61
    ethyl propionate 356.71
    nitromethane 759.76
    1,2-diethoxyethane 467.22
    benzonitrile 522.7
    trioctyl phosphate 135.87
    1-bromopropane 769.74
    gamma-valerolactone 1189.35
    n-decanol 143.25
    triethyl phosphate 180.21
    4-methyl-2-pentanol 171.86
    propionitrile 532.48
    vinylene carbonate 712.94
    1,1,2-trichlorotrifluoroethane 651.27
    DMS 327.45
    cumene 180.18
    2-octanol 193.16
    2-hexanone 433.35
    octyl acetate 219.8
    limonene 297.4
    1,2-dimethoxyethane 635.69
    ethyl orthosilicate 182.62
    tributyl phosphate 173.54
    diacetone alcohol 317.53
    N,N-dimethylaniline 242.47
    acrylonitrile 578.52
    aniline 409.87
    1,3-propanediol 301.2
    bromobenzene 845.32
    dibromomethane 1459.09
    1,1,2,2-tetrachloroethane 1393.66
    2-methyl-cyclohexyl acetate 294.82
    tetrabutyl urea 196.96
    diisobutyl methanol 172.46
    2-phenylethanol 336.99
    styrene 288.98
    dioctyl adipate 207.04
    dimethyl sulfate 340.09
    ethyl butyrate 404.11
    methyl lactate 195.16
    butyl lactate 238.26
    diethyl carbonate 250.98
    propanediol butyl ether 238.17
    triethyl orthoformate 262.24
    p-tert-butyltoluene 184.13
    methyl 4-tert-butylbenzoate 275.83
    morpholine 898.19
    tert-butylamine 294.75
    n-dodecanol 111.2
    dimethoxymethane 509.54
    ethylene carbonate 614.39
    cyrene 254.08
    2-ethoxyethyl acetate 406.9
    2-ethylhexyl acetate 465.4
    1,2,4-trichlorobenzene 715.26
    4-methylpyridine 854.59
    dibutyl ether 339.73
    2,6-dimethyl-4-heptanol 172.46
    DEF 597.79
    dimethyl isosorbide 456.61
    tetrachloroethylene 1104.85
    eugenol 258.41
    triacetin 288.14
    span 80 222.81
    1,4-butanediol 158.26
    1,1-dichloroethane 1100.92
    2-methyl-1-pentanol 319.97
    methyl formate 456.01
    2-methyl-1-butanol 407.67
    n-decane 73.11
    butyronitrile 575.76
    3,7-dimethyl-1-octanol 211.41
    1-chlorooctane 253.81
    1-chlorotetradecane 95.37
    n-nonane 82.42
    undecane 52.92
    tert-butylcyclohexane 122.44
    cyclooctane 109.36
    cyclopentanol 564.15
    tetrahydropyran 1021.76
    tert-amyl methyl ether 425.61
    2,5,8-trioxanonane 342.49
    1-hexene 448.96
    2-isopropoxyethanol 261.05
    2,2,2-trifluoroethanol 252.16
    methyl butyrate 480.33

    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