Pyrazine, 2-hexyl-

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  • Identifiers

    CAS number
    28217-91-6

    Molecular formula
    C10H16N2

    SMILES
    CCCCCCC1=NC=CN=C1

    Safety labels

  • Odor profile

    Fragrance
    Green 76.98%
    Nutty 56.14%
    Earthy 52.85%
    Vegetable 49.65%
    Roasted 48.01%
    Fatty 40.76%
    Meaty 37.56%
    Musty 37.07%
    Herbal 29.41%
    Burnt 26.97%

     

    Flavor
    Green 73.53%
    Fatty 51.82%
    Herbal 45.67%
    Earthy 42.99%
    Pepper 42.32%
    Nutty 40.88%
    Vegetable 36.3%
    Musty 33.67%
    Roasted 33.02%
    Mushroom 32.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.0 (weak acid)

    Molecular weight
    164.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 118.39 ˚C est.

  • Synonyms

    • Pyrazine, 2-hexyl-
    • RefChem:870435
    • 2-hexylpyrazine
    • 28217-91-6
    • Pyrazine, hexyl-
    • hexyl pyrazine
    • Hexylpyrazine
    • SCHEMBL293129
    • SCHEMBL734958
    • SCHEMBL3938070
    • SCHEMBL7829912
    • DTXSID3067366
    • DBA21791
    • EN300-300754
    • 28217-91-6

  • Applications

    2-hexylpyrazine (Pyrazine, 2-hexyl-, CAS 28217-91-6) is primarily used as an odorant in fragrance and flavor applications, providing nutty, roasted, and green notes characteristic of pyrazine derivatives. It is employed as a fragrance ingredient in cosmetics and personal care products, and in flavor formulations to contribute roasted or savory notes. It may also serve as an intermediate in the synthesis of other heterocyclic compounds for specialty chemicals in industrial research. In addition, it can be used as an odorant additive in household products and in coatings/inks where a subtle fragrance is desired. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1884.14
    methanol 2251.4
    isopropanol 900.94
    water 0.24
    ethyl acetate 2510.87
    n-propanol 1375.51
    acetone 4223.77
    n-butanol 1281.72
    acetonitrile 2038.42
    DMF 3711.12
    toluene 1144.27
    isobutanol 964.69
    1,4-dioxane 1789.95
    methyl acetate 1637.95
    THF 2656.63
    2-butanone 2520.39
    n-pentanol 715.17
    sec-butanol 793.92
    n-hexane 128.15
    ethylene glycol 301.28
    NMP 2394.46
    cyclohexane 257.88
    DMSO 6752.44
    n-butyl acetate 2338.79
    n-octanol 157.3
    chloroform 4563.13
    n-propyl acetate 1160.24
    acetic acid 1967.31
    dichloromethane 5875.19
    cyclohexanone 3281.33
    propylene glycol 377.52
    isopropyl acetate 1141.74
    DMAc 1995.54
    2-ethoxyethanol 1050.47
    isopentanol 930.48
    n-heptane 83.85
    ethyl formate 1414.28
    1,2-dichloroethane 4620.51
    n-hexanol 900.86
    2-methoxyethanol 2450.36
    isobutyl acetate 642.38
    tetrachloromethane 677.73
    n-pentyl acetate 621.33
    transcutol 4420.64
    n-heptanol 216.99
    ethylbenzene 315.27
    MIBK 852.63
    2-propoxyethanol 1464.29
    tert-butanol 1018.85
    MTBE 1176.55
    2-butoxyethanol 537.85
    propionic acid 1202.35
    o-xylene 482.5
    formic acid 543.0
    diethyl ether 1696.79
    m-xylene 555.64
    p-xylene 411.91
    chlorobenzene 1779.13
    dimethyl carbonate 585.31
    n-octane 21.52
    formamide 899.67
    cyclopentanone 3317.48
    2-pentanone 2120.4
    anisole 646.88
    cyclopentyl methyl ether 1712.74
    gamma-butyrolactone 3270.1
    1-methoxy-2-propanol 1469.7
    pyridine 2853.96
    3-pentanone 1641.83
    furfural 2638.23
    n-dodecane 15.61
    diethylene glycol 925.8
    diisopropyl ether 339.99
    tert-amyl alcohol 778.47
    acetylacetone 2171.79
    n-hexadecane 19.09
    acetophenone 661.04
    methyl propionate 1721.83
    isopentyl acetate 1498.09
    trichloroethylene 7192.46
    n-nonanol 142.14
    cyclohexanol 1054.14
    benzyl alcohol 634.12
    2-ethylhexanol 533.31
    isooctanol 178.35
    dipropyl ether 833.27
    1,2-dichlorobenzene 1392.81
    ethyl lactate 316.17
    propylene carbonate 1563.53
    n-methylformamide 1840.16
    2-pentanol 691.9
    n-pentane 117.41
    1-propoxy-2-propanol 1099.77
    1-methoxy-2-propyl acetate 1290.69
    2-(2-methoxypropoxy) propanol 469.46
    mesitylene 291.38
    ε-caprolactone 2132.53
    p-cymene 229.47
    epichlorohydrin 3575.86
    1,1,1-trichloroethane 2825.58
    2-aminoethanol 638.67
    morpholine-4-carbaldehyde 2019.69
    sulfolane 4127.44
    2,2,4-trimethylpentane 61.76
    2-methyltetrahydrofuran 2273.16
    n-hexyl acetate 694.2
    isooctane 44.05
    2-(2-butoxyethoxy)ethanol 779.32
    sec-butyl acetate 640.03
    tert-butyl acetate 1068.21
    decalin 97.43
    glycerin 519.35
    diglyme 1596.89
    acrylic acid 1039.58
    isopropyl myristate 202.5
    n-butyric acid 2160.36
    acetyl acetate 1185.35
    di(2-ethylhexyl) phthalate 217.22
    ethyl propionate 878.72
    nitromethane 3520.58
    1,2-diethoxyethane 1748.41
    benzonitrile 1119.82
    trioctyl phosphate 146.86
    1-bromopropane 2044.7
    gamma-valerolactone 3322.07
    n-decanol 109.83
    triethyl phosphate 285.13
    4-methyl-2-pentanol 302.43
    propionitrile 1489.92
    vinylene carbonate 1346.44
    1,1,2-trichlorotrifluoroethane 2295.94
    DMS 640.04
    cumene 188.26
    2-octanol 128.32
    2-hexanone 1067.31
    octyl acetate 257.38
    limonene 444.78
    1,2-dimethoxyethane 1738.95
    ethyl orthosilicate 298.61
    tributyl phosphate 253.48
    diacetone alcohol 879.02
    N,N-dimethylaniline 364.13
    acrylonitrile 1947.15
    aniline 1406.98
    1,3-propanediol 977.36
    bromobenzene 2090.32
    dibromomethane 3683.45
    1,1,2,2-tetrachloroethane 4828.27
    2-methyl-cyclohexyl acetate 492.24
    tetrabutyl urea 312.66
    diisobutyl methanol 255.04
    2-phenylethanol 657.29
    styrene 547.53
    dioctyl adipate 322.71
    dimethyl sulfate 975.16
    ethyl butyrate 1019.59
    methyl lactate 533.64
    butyl lactate 451.37
    diethyl carbonate 548.96
    propanediol butyl ether 454.91
    triethyl orthoformate 547.8
    p-tert-butyltoluene 209.72
    methyl 4-tert-butylbenzoate 356.49
    morpholine 2467.86
    tert-butylamine 658.86
    n-dodecanol 88.36
    dimethoxymethane 1822.93
    ethylene carbonate 1230.05
    cyrene 383.89
    2-ethoxyethyl acetate 1027.31
    2-ethylhexyl acetate 1083.05
    1,2,4-trichlorobenzene 1478.02
    4-methylpyridine 2757.87
    dibutyl ether 480.17
    2,6-dimethyl-4-heptanol 255.04
    DEF 2215.98
    dimethyl isosorbide 875.63
    tetrachloroethylene 3171.27
    eugenol 372.25
    triacetin 515.0
    span 80 396.33
    1,4-butanediol 346.64
    1,1-dichloroethane 3387.38
    2-methyl-1-pentanol 621.34
    methyl formate 1359.92
    2-methyl-1-butanol 920.86
    n-decane 26.43
    butyronitrile 1604.31
    3,7-dimethyl-1-octanol 245.2
    1-chlorooctane 173.22
    1-chlorotetradecane 65.51
    n-nonane 25.99
    undecane 19.75
    tert-butylcyclohexane 82.87
    cyclooctane 67.17
    cyclopentanol 983.08
    tetrahydropyran 2448.86
    tert-amyl methyl ether 766.56
    2,5,8-trioxanonane 868.68
    1-hexene 576.89
    2-isopropoxyethanol 605.66
    2,2,2-trifluoroethanol 492.6
    methyl butyrate 1301.52

    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