2,3,5-Trimethyl-6-isopentylpyrazine

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  • Identifiers

    CAS number
    10132-43-1

    Molecular formula
    C12H20N2

    SMILES
    CC1=C(N=C(C(=N1)C)CCC(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Burnt 45.77%
    Earthy 42.05%
    Nutty 39.2%
    Fruity 36.81%
    Roasted 35.76%
    Woody 34.83%
    Musty 33.91%
    Cocoa 30.11%
    Dry 28.09%
    Hazelnut 27.78%

     

    Flavor
    Musty 42.81%
    Earthy 41.07%
    Burnt 34.86%
    Earth 34.72%
    Roasted 34.0%
    Cocoa 29.57%
    Herbal 29.45%
    Hazelnut 28.98%
    Pepper 28.81%
    Nutty 25.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.72 (weak acid)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    267°C

    Flash point

    • 102.28 ˚C est.

  • Synonyms

    • Pyrazine, trimethyl(3-methylbutyl)-
    • 2,3,5-Trimethyl-6-isopentylpyrazine
    • 2-Isopentyl-3,5,6-trimethylpyrazine
    • 2,3,5-trimethyl-6-(3-methylbutyl)pyrazine
    • 10132-43-1
    • 2-(3-methylbutyl)-3,5,6-trimethylpyrazine
    • Trimethylisopentylpyrazine
    • Pyrazine, trimethylisopentyl
    • SCHEMBL6129973
    • KYVXEZPQRULTLX-UHFFFAOYSA-N
    • AKOS006291219
    • NS00113831
    • Pyrazine, 2,3,5-trimethyl-6-(3-methylbutyl)
    • 10132-43-1

  • Applications

    2,3,5-Trimethyl-6-isopentylpyrazine (CAS 10132-43-1) is primarily used as a flavor and fragrance ingredient to impart roasted, nutty, coffee-like notes in foods and beverages; in perfumery and cosmetics it serves as an odorant to provide roasted or nutty facets; in household products such as detergents and cleaners it can be added as a fragrance ingredient; in industrial manufacturing it often serves as an intermediate in the synthesis of other pyrazine-based flavor and fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 338.23
    methanol 278.32
    isopropanol 298.49
    water 0.43
    ethyl acetate 530.5
    n-propanol 360.68
    acetone 459.65
    n-butanol 423.59
    acetonitrile 266.92
    DMF 571.87
    toluene 570.0
    isobutanol 366.35
    1,4-dioxane 902.75
    methyl acetate 455.59
    THF 1387.73
    2-butanone 550.67
    n-pentanol 324.53
    sec-butanol 378.59
    n-hexane 325.27
    ethylene glycol 38.53
    NMP 797.77
    cyclohexane 447.63
    DMSO 358.36
    n-butyl acetate 990.69
    n-octanol 310.79
    chloroform 2139.69
    n-propyl acetate 371.31
    acetic acid 294.94
    dichloromethane 1634.88
    cyclohexanone 1124.5
    propylene glycol 87.31
    isopropyl acetate 427.37
    DMAc 694.68
    2-ethoxyethanol 273.52
    isopentanol 468.61
    n-heptane 200.52
    ethyl formate 351.53
    1,2-dichloroethane 927.76
    n-hexanol 652.73
    2-methoxyethanol 393.43
    isobutyl acetate 347.42
    tetrachloromethane 515.29
    n-pentyl acetate 467.71
    transcutol 940.33
    n-heptanol 322.66
    ethylbenzene 336.49
    MIBK 352.93
    2-propoxyethanol 610.67
    tert-butanol 400.44
    MTBE 725.54
    2-butoxyethanol 397.94
    propionic acid 264.93
    o-xylene 404.79
    formic acid 62.22
    diethyl ether 598.5
    m-xylene 414.29
    p-xylene 516.64
    chlorobenzene 735.99
    dimethyl carbonate 180.88
    n-octane 97.82
    formamide 73.69
    cyclopentanone 1014.64
    2-pentanone 467.28
    anisole 371.27
    cyclopentyl methyl ether 782.03
    gamma-butyrolactone 980.61
    1-methoxy-2-propanol 341.9
    pyridine 826.19
    3-pentanone 452.5
    furfural 787.04
    n-dodecane 66.45
    diethylene glycol 269.26
    diisopropyl ether 283.48
    tert-amyl alcohol 476.93
    acetylacetone 507.25
    n-hexadecane 77.47
    acetophenone 369.76
    methyl propionate 390.36
    isopentyl acetate 914.71
    trichloroethylene 1623.69
    n-nonanol 273.25
    cyclohexanol 563.52
    benzyl alcohol 306.8
    2-ethylhexanol 493.99
    isooctanol 261.15
    dipropyl ether 536.55
    1,2-dichlorobenzene 648.78
    ethyl lactate 158.03
    propylene carbonate 721.47
    n-methylformamide 186.68
    2-pentanol 339.96
    n-pentane 195.58
    1-propoxy-2-propanol 524.01
    1-methoxy-2-propyl acetate 616.13
    2-(2-methoxypropoxy) propanol 331.43
    mesitylene 284.75
    ε-caprolactone 879.18
    p-cymene 298.47
    epichlorohydrin 1002.37
    1,1,1-trichloroethane 1105.26
    2-aminoethanol 108.79
    morpholine-4-carbaldehyde 691.3
    sulfolane 917.18
    2,2,4-trimethylpentane 135.57
    2-methyltetrahydrofuran 1163.84
    n-hexyl acetate 629.16
    isooctane 82.07
    2-(2-butoxyethoxy)ethanol 416.21
    sec-butyl acetate 321.52
    tert-butyl acetate 452.72
    decalin 186.53
    glycerin 101.71
    diglyme 705.33
    acrylic acid 209.26
    isopropyl myristate 268.42
    n-butyric acid 546.99
    acetyl acetate 392.21
    di(2-ethylhexyl) phthalate 243.56
    ethyl propionate 323.2
    nitromethane 352.55
    1,2-diethoxyethane 631.63
    benzonitrile 516.62
    trioctyl phosphate 183.82
    1-bromopropane 787.9
    gamma-valerolactone 1052.11
    n-decanol 206.46
    triethyl phosphate 238.16
    4-methyl-2-pentanol 244.54
    propionitrile 359.97
    vinylene carbonate 588.15
    1,1,2-trichlorotrifluoroethane 550.25
    DMS 403.62
    cumene 263.82
    2-octanol 255.65
    2-hexanone 435.15
    octyl acetate 328.28
    limonene 436.33
    1,2-dimethoxyethane 610.54
    ethyl orthosilicate 253.95
    tributyl phosphate 236.17
    diacetone alcohol 348.87
    N,N-dimethylaniline 327.45
    acrylonitrile 307.57
    aniline 450.08
    1,3-propanediol 206.48
    bromobenzene 897.39
    dibromomethane 1267.43
    1,1,2,2-tetrachloroethane 1539.31
    2-methyl-cyclohexyl acetate 449.62
    tetrabutyl urea 278.92
    diisobutyl methanol 260.96
    2-phenylethanol 448.52
    styrene 374.68
    dioctyl adipate 310.38
    dimethyl sulfate 254.24
    ethyl butyrate 491.21
    methyl lactate 161.55
    butyl lactate 310.39
    diethyl carbonate 318.41
    propanediol butyl ether 290.6
    triethyl orthoformate 381.38
    p-tert-butyltoluene 288.41
    methyl 4-tert-butylbenzoate 352.28
    morpholine 859.27
    tert-butylamine 347.77
    n-dodecanol 166.75
    dimethoxymethane 411.48
    ethylene carbonate 551.33
    cyrene 290.76
    2-ethoxyethyl acetate 501.76
    2-ethylhexyl acetate 803.26
    1,2,4-trichlorobenzene 694.48
    4-methylpyridine 926.24
    dibutyl ether 486.52
    2,6-dimethyl-4-heptanol 260.96
    DEF 560.37
    dimethyl isosorbide 652.39
    tetrachloroethylene 1045.68
    eugenol 329.09
    triacetin 381.05
    span 80 349.31
    1,4-butanediol 104.61
    1,1-dichloroethane 1019.45
    2-methyl-1-pentanol 385.38
    methyl formate 190.2
    2-methyl-1-butanol 450.6
    n-decane 112.61
    butyronitrile 495.56
    3,7-dimethyl-1-octanol 326.01
    1-chlorooctane 349.29
    1-chlorotetradecane 141.5
    n-nonane 122.0
    undecane 82.66
    tert-butylcyclohexane 173.24
    cyclooctane 169.46
    cyclopentanol 489.46
    tetrahydropyran 1120.94
    tert-amyl methyl ether 579.8
    2,5,8-trioxanonane 457.08
    1-hexene 561.78
    2-isopropoxyethanol 251.23
    2,2,2-trifluoroethanol 116.99
    methyl butyrate 458.13

    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