2,5-Dimethyl-3-(3-methylbutyl)pyrazine

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    18433-98-2

    Molecular formula
    C11H18N2

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

  • Odor profile

    Fruity 50.16%
    Earthy 43.48%
    Nutty 40.99%
    Burnt 39.26%
    Roasted 36.98%
    Green 36.6%
    Woody 34.63%
    Musty 30.9%
    Cocoa 30.03%
    Mint 29.32%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.38 (weak acid)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point est.
    102.28 ˚C

  • Synonyms

    • 18433-98-2
    • 2,5-dimethyl-3-(3-methylbutyl)pyrazine
    • isopentyldimethylpyrazine,2-isopentyl-3,6-dimethylpyrazine
    • Pyrazine, 2,5-dimethyl-3-(3-methylbutyl)-
    • 2-isopentyl-3,6-dimethylpyrazine
    • Pyrazine, 3-isopentyl-2,5-dimethyl-
    • 3-Isopentyl-2,5-dimethylpyrazine
    • 2,5-Dimethyl-3-isopentylpyrazine
    • 2,5-Dimethyl-3-isoamylpyrazine
    • 3-Isoamyl-2,5-dimethylpyrazine
    • 3-Isopentyl-2,5-dimethyl-pyrazine
    • 2,5-Dimethyl-3(3'-methylbutyl)pyrazine
    • 2-(3-Methylbutyl)-3,6-dimethylpyrazine
    • CHEMBL96244
    • SCHEMBL6130003
    • CHEBI:224373
    • 2-isopentyl-3,6-dimethyl pyrazine
    • HS-3533
    • NS00114094
    • EN300-6491197
    • Z1861997395

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 313.67
    methanol 293.75
    isopropanol 235.03
    water 0.69
    ethyl acetate 326.65
    n-propanol 285.27
    acetone 327.19
    n-butanol 332.29
    acetonitrile 182.54
    DMF 446.14
    toluene 311.97
    isobutanol 272.11
    1,4-dioxane 557.64
    methyl acetate 279.89
    THF 827.77
    2-butanone 339.15
    n-pentanol 249.19
    sec-butanol 261.28
    n-hexane 108.21
    ethylene glycol 51.01
    NMP 504.01
    cyclohexane 170.74
    DMSO 322.99
    n-butyl acetate 639.68
    n-octanol 168.69
    chloroform 1469.65
    n-propyl acetate 212.95
    acetic acid 306.16
    dichloromethane 1054.16
    cyclohexanone 685.55
    propylene glycol 98.36
    isopropyl acetate 258.86
    DMAc 469.79
    2-ethoxyethanol 221.78
    isopentanol 341.18
    n-heptane 72.55
    ethyl formate 263.7
    1,2-dichloroethane 571.36
    n-hexanol 497.85
    2-methoxyethanol 357.7
    isobutyl acetate 205.27
    tetrachloromethane 292.37
    n-pentyl acetate 237.91
    transcutol 772.21
    n-heptanol 190.01
    ethylbenzene 154.06
    MIBK 209.41
    2-propoxyethanol 487.4
    tert-butanol 308.09
    MTBE 404.62
    2-butoxyethanol 269.01
    propionic acid 233.27
    o-xylene 205.76
    formic acid 73.27
    diethyl ether 301.52
    m-xylene 214.63
    p-xylene 242.06
    chlorobenzene 444.63
    dimethyl carbonate 105.28
    n-octane 31.3
    formamide 69.09
    cyclopentanone 638.02
    2-pentanone 279.96
    anisole 212.11
    cyclopentyl methyl ether 423.83
    gamma-butyrolactone 615.87
    1-methoxy-2-propanol 281.91
    pyridine 543.44
    3-pentanone 240.99
    furfural 591.95
    n-dodecane 25.71
    diethylene glycol 272.7
    diisopropyl ether 124.32
    tert-amyl alcohol 319.26
    acetylacetone 312.6
    n-hexadecane 29.2
    acetophenone 216.58
    methyl propionate 225.8
    isopentyl acetate 545.83
    trichloroethylene 1144.01
    n-nonanol 148.96
    cyclohexanol 360.26
    benzyl alcohol 212.56
    2-ethylhexanol 314.59
    isooctanol 151.23
    dipropyl ether 268.06
    1,2-dichlorobenzene 386.35
    ethyl lactate 109.1
    propylene carbonate 480.8
    n-methylformamide 147.44
    2-pentanol 223.93
    n-pentane 78.93
    1-propoxy-2-propanol 401.18
    1-methoxy-2-propyl acetate 392.87
    2-(2-methoxypropoxy) propanol 229.28
    mesitylene 141.27
    ε-caprolactone 543.19
    p-cymene 153.61
    epichlorohydrin 646.23
    1,1,1-trichloroethane 663.5
    2-aminoethanol 117.83
    morpholine-4-carbaldehyde 473.08
    sulfolane 614.88
    2,2,4-trimethylpentane 59.14
    2-methyltetrahydrofuran 661.73
    n-hexyl acetate 330.71
    isooctane 35.33
    2-(2-butoxyethoxy)ethanol 297.73
    sec-butyl acetate 173.47
    tert-butyl acetate 261.61
    decalin 77.16
    glycerin 123.92
    diglyme 484.54
    acrylic acid 195.73
    isopropyl myristate 134.9
    n-butyric acid 484.12
    acetyl acetate 248.04
    di(2-ethylhexyl) phthalate 151.74
    ethyl propionate 173.28
    nitromethane 289.65
    1,2-diethoxyethane 357.57
    benzonitrile 341.63
    trioctyl phosphate 109.25
    1-bromopropane 436.07
    gamma-valerolactone 726.76
    n-decanol 114.83
    triethyl phosphate 133.16
    4-methyl-2-pentanol 158.53
    propionitrile 244.75
    vinylene carbonate 416.45
    1,1,2-trichlorotrifluoroethane 450.8
    DMS 223.02
    cumene 125.69
    2-octanol 129.63
    2-hexanone 245.1
    octyl acetate 172.59
    limonene 230.56
    1,2-dimethoxyethane 406.14
    ethyl orthosilicate 142.57
    tributyl phosphate 140.05
    diacetone alcohol 239.04
    N,N-dimethylaniline 175.08
    acrylonitrile 236.91
    aniline 298.56
    1,3-propanediol 203.8
    bromobenzene 511.61
    dibromomethane 780.14
    1,1,2,2-tetrachloroethane 1026.21
    2-methyl-cyclohexyl acetate 263.98
    tetrabutyl urea 160.58
    diisobutyl methanol 155.41
    2-phenylethanol 307.71
    styrene 183.19
    dioctyl adipate 181.65
    dimethyl sulfate 159.59
    ethyl butyrate 277.12
    methyl lactate 123.69
    butyl lactate 209.52
    diethyl carbonate 181.23
    propanediol butyl ether 224.01
    triethyl orthoformate 218.39
    p-tert-butyltoluene 147.35
    methyl 4-tert-butylbenzoate 204.83
    morpholine 566.93
    tert-butylamine 242.44
    n-dodecanol 94.1
    dimethoxymethane 250.98
    ethylene carbonate 367.66
    cyrene 206.12
    2-ethoxyethyl acetate 284.22
    2-ethylhexyl acetate 445.81
    1,2,4-trichlorobenzene 425.41
    4-methylpyridine 582.14
    dibutyl ether 219.05
    2,6-dimethyl-4-heptanol 155.41
    DEF 340.72
    dimethyl isosorbide 409.06
    tetrachloroethylene 697.26
    eugenol 215.11
    triacetin 232.51
    span 80 237.13
    1,4-butanediol 100.74
    1,1-dichloroethane 621.12
    2-methyl-1-pentanol 280.31
    methyl formate 152.14
    2-methyl-1-butanol 324.06
    n-decane 40.78
    butyronitrile 328.41
    3,7-dimethyl-1-octanol 185.51
    1-chlorooctane 149.31
    1-chlorotetradecane 63.8
    n-nonane 40.72
    undecane 31.25
    tert-butylcyclohexane 71.13
    cyclooctane 59.04
    cyclopentanol 314.45
    tetrahydropyran 642.24
    tert-amyl methyl ether 298.93
    2,5,8-trioxanonane 321.75
    1-hexene 262.25
    2-isopropoxyethanol 186.93
    2,2,2-trifluoroethanol 105.63
    methyl butyrate 271.12

    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

Botanical

Name CAS Botanical Proportion
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.12%