2,5-Dimethyl-3-isopropylpyrazine

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  • Identifiers

    CAS number
    40790-20-3

    Molecular formula
    C9H14N2

    SMILES
    CC1=CN=C(C(=N1)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 69.59%
    Roasted 65.35%
    Earthy 62.24%
    Cocoa 52.14%
    Burnt 50.68%
    Hazelnut 49.49%
    Coffee 48.28%
    Musty 47.54%
    Potato 45.96%
    Green 45.35%

     

    Flavor
    Earthy 55.67%
    Roasted 49.26%
    Nutty 47.77%
    Musty 46.4%
    Hazelnut 44.05%
    Earth 41.71%
    Potato 41.49%
    Cocoa 40.98%
    Burnt 39.93%
    Meaty 36.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    4.86 (weak acid)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 75.3 ˚C est.

  • Synonyms

    • 2,5-Dimethyl-3-isopropylpyrazine
    • 3-Isopropyl-2,5-dimethylpyrazine
    • 40790-20-3
    • 7P7UTQ6SJX
    • 2,5-dimethyl-3-propan-2-ylpyrazine
    • Pyrazine, 2,5-dimethyl-3-(1-methylethyl)-
    • 2,5-Dimethyl-3-(1-methylethyl)pyrazine
    • DTXSID001019729
    • RefChem:82946
    • DTXCID601477642
    • NJTFLPVGROFSPU-UHFFFAOYSA-N
    • 2,5-dimethyl-3-(propan-2-yl)pyrazine
    • UNII-7P7UTQ6SJX
    • SCHEMBL12141954
    • SCHEMBL31491207
    • 2,5-dimethyl-3-isopropyl pyrazine
    • 2,5-dimethyl-3-isopropyl-pyrazine
    • 3-Isopropyl-2,5-dimethylpyrazine #
    • DB-289034
    • NS00113849
    • 40790-20-3

  • Applications

    2,5-Dimethyl-3-isopropylpyrazine (CAS 40790-20-3) is a pyrazine derivative with roasted, nutty aroma notes, used primarily as an aroma and flavor component in multiple industries. In perfumery and fragrances, it serves as an aroma ingredient contributing roasted and savory notes to fragrance formulations; in food processing and flavor applications, it is considered a flavor/aroma additive for processed foods and seasonings, delivering characteristic savory nuances. In cosmetics and personal care, it can be used as a fragrance ingredient; in household products such as cleaners and laundry detergents, it helps impart a pleasant, lasting scent. It is also employed as an intermediate in industrial manufacturing of fragrance chemicals and other organic compounds, depending on formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 429.31
    methanol 524.46
    isopropanol 384.0
    water 2.72
    ethyl acetate 662.77
    n-propanol 461.4
    acetone 752.76
    n-butanol 467.95
    acetonitrile 461.85
    DMF 914.37
    toluene 595.72
    isobutanol 440.73
    1,4-dioxane 1058.67
    methyl acetate 601.59
    THF 1577.9
    2-butanone 748.51
    n-pentanol 382.69
    sec-butanol 489.02
    n-hexane 387.1
    ethylene glycol 113.45
    NMP 1135.26
    cyclohexane 374.87
    DMSO 668.69
    n-butyl acetate 819.96
    n-octanol 422.14
    chloroform 2255.43
    n-propyl acetate 472.08
    acetic acid 400.48
    dichloromethane 1950.45
    cyclohexanone 1213.98
    propylene glycol 165.35
    isopropyl acetate 455.72
    DMAc 848.89
    2-ethoxyethanol 392.39
    isopentanol 441.22
    n-heptane 217.07
    ethyl formate 476.34
    1,2-dichloroethane 1145.02
    n-hexanol 630.64
    2-methoxyethanol 568.98
    isobutyl acetate 382.19
    tetrachloromethane 666.89
    n-pentyl acetate 529.17
    transcutol 761.29
    n-heptanol 348.96
    ethylbenzene 383.36
    MIBK 457.07
    2-propoxyethanol 657.62
    tert-butanol 471.32
    MTBE 712.87
    2-butoxyethanol 408.14
    propionic acid 418.7
    o-xylene 443.74
    formic acid 127.11
    diethyl ether 758.23
    m-xylene 474.0
    p-xylene 538.93
    chlorobenzene 793.94
    dimethyl carbonate 311.59
    n-octane 118.68
    formamide 126.65
    cyclopentanone 1336.57
    2-pentanone 647.3
    anisole 482.37
    cyclopentyl methyl ether 998.41
    gamma-butyrolactone 1365.99
    1-methoxy-2-propanol 489.92
    pyridine 785.23
    3-pentanone 650.54
    furfural 1046.87
    n-dodecane 88.75
    diethylene glycol 354.42
    diisopropyl ether 335.38
    tert-amyl alcohol 539.17
    acetylacetone 643.8
    n-hexadecane 101.49
    acetophenone 453.01
    methyl propionate 577.49
    isopentyl acetate 687.0
    trichloroethylene 1959.47
    n-nonanol 332.45
    cyclohexanol 619.07
    benzyl alcohol 341.4
    2-ethylhexanol 477.87
    isooctanol 286.85
    dipropyl ether 559.9
    1,2-dichlorobenzene 766.64
    ethyl lactate 236.13
    propylene carbonate 860.49
    n-methylformamide 384.34
    2-pentanol 411.97
    n-pentane 255.96
    1-propoxy-2-propanol 508.13
    1-methoxy-2-propyl acetate 534.92
    2-(2-methoxypropoxy) propanol 308.09
    mesitylene 340.64
    ε-caprolactone 986.18
    p-cymene 307.81
    epichlorohydrin 1338.87
    1,1,1-trichloroethane 1389.88
    2-aminoethanol 189.99
    morpholine-4-carbaldehyde 930.87
    sulfolane 1507.17
    2,2,4-trimethylpentane 162.91
    2-methyltetrahydrofuran 1295.26
    n-hexyl acetate 726.42
    isooctane 111.63
    2-(2-butoxyethoxy)ethanol 406.6
    sec-butyl acetate 354.55
    tert-butyl acetate 524.59
    decalin 211.64
    glycerin 207.43
    diglyme 752.67
    acrylic acid 366.11
    isopropyl myristate 270.78
    n-butyric acid 570.59
    acetyl acetate 452.81
    di(2-ethylhexyl) phthalate 239.76
    ethyl propionate 451.74
    nitromethane 609.54
    1,2-diethoxyethane 553.7
    benzonitrile 565.16
    trioctyl phosphate 203.31
    1-bromopropane 887.66
    gamma-valerolactone 1267.02
    n-decanol 244.16
    triethyl phosphate 259.31
    4-methyl-2-pentanol 264.95
    propionitrile 496.1
    vinylene carbonate 772.64
    1,1,2-trichlorotrifluoroethane 698.55
    DMS 493.28
    cumene 302.59
    2-octanol 317.54
    2-hexanone 539.0
    octyl acetate 341.14
    limonene 438.44
    1,2-dimethoxyethane 765.76
    ethyl orthosilicate 259.11
    tributyl phosphate 252.89
    diacetone alcohol 430.27
    N,N-dimethylaniline 385.84
    acrylonitrile 520.29
    aniline 448.81
    1,3-propanediol 304.33
    bromobenzene 952.88
    dibromomethane 1483.68
    1,1,2,2-tetrachloroethane 1701.19
    2-methyl-cyclohexyl acetate 413.77
    tetrabutyl urea 291.41
    diisobutyl methanol 256.12
    2-phenylethanol 432.63
    styrene 415.78
    dioctyl adipate 321.79
    dimethyl sulfate 493.91
    ethyl butyrate 485.5
    methyl lactate 270.61
    butyl lactate 336.82
    diethyl carbonate 341.13
    propanediol butyl ether 359.02
    triethyl orthoformate 353.93
    p-tert-butyltoluene 299.64
    methyl 4-tert-butylbenzoate 414.72
    morpholine 929.33
    tert-butylamine 386.9
    n-dodecanol 193.24
    dimethoxymethane 666.53
    ethylene carbonate 674.2
    cyrene 343.81
    2-ethoxyethyl acetate 510.25
    2-ethylhexyl acetate 626.81
    1,2,4-trichlorobenzene 836.56
    4-methylpyridine 929.15
    dibutyl ether 542.07
    2,6-dimethyl-4-heptanol 256.12
    DEF 765.9
    dimethyl isosorbide 600.54
    tetrachloroethylene 1248.68
    eugenol 362.17
    triacetin 427.58
    span 80 321.8
    1,4-butanediol 176.42
    1,1-dichloroethane 1210.34
    2-methyl-1-pentanol 395.22
    methyl formate 410.0
    2-methyl-1-butanol 491.33
    n-decane 146.35
    butyronitrile 600.95
    3,7-dimethyl-1-octanol 350.0
    1-chlorooctane 430.44
    1-chlorotetradecane 173.61
    n-nonane 167.06
    undecane 109.53
    tert-butylcyclohexane 214.04
    cyclooctane 182.98
    cyclopentanol 641.96
    tetrahydropyran 1166.83
    tert-amyl methyl ether 644.76
    2,5,8-trioxanonane 464.28
    1-hexene 647.23
    2-isopropoxyethanol 314.35
    2,2,2-trifluoroethanol 193.12
    methyl butyrate 597.29

    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