Pyrazine, 2,5-diethyl-

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  • Identifiers

    CAS number
    13238-84-1

    Molecular formula
    C8H12N2

    SMILES
    CCC1=CN=C(C=N1)CC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Nutty 85.18%
    Roasted 74.91%
    Earthy 66.26%
    Cocoa 64.27%
    Musty 60.39%
    Green 58.76%
    Hazelnut 57.56%
    Potato 56.25%
    Coffee 51.41%
    Chocolate 46.45%

     

    Flavor
    Nutty 68.49%
    Green 46.22%
    Sweet 45.23%
    Earthy 44.54%
    Roasted 44.53%
    Musty 44.16%
    Potato 43.31%
    Peanut 42.16%
    Cocoa 39.73%
    Woody 37.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    4.24 (weak acid)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 88.00 °C. @ 760.00 mm Hg

    Boiling point

    • 187.00 to 189.00 °C. @ 760.00 mm Hg

    Flash point

    • 77.9 ˚C est.

  • Synonyms

    • 2,5-DIETHYLPYRAZINE
    • 13238-84-1
    • Pyrazine, 2,5-diethyl-
    • DTXSID30157511
    • 2,5-diethyl-pyrazine
    • SCHEMBL830188
    • DTXCID8080002
    • CHEBI:193642
    • AKOS006292336
    • DB-042106
    • NS00021602
    • InChI=1/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H
    • 603-572-5

  • Applications

    Pyrazine, 2,5-diethyl- (CAS 13238-84-1) is primarily used as an odorant in fragrance and flavor applications, contributing roasted, nutty, or distinctive aroma notes in perfumery and may act as a flavor component in select taste-modifying formulations. It is commonly evaluated as a fragrance ingredient in cosmetics and personal care products and can be employed in household products to impart a pleasant scent. In industrial manufacturing, it serves as an intermediate or building block for the synthesis of other heterocycles and aroma-related compounds. It may also be used in coatings, inks, or cleaning formulations as a scent additive, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 448.22
    methanol 556.68
    isopropanol 271.3
    water 1.84
    ethyl acetate 380.19
    n-propanol 334.08
    acetone 486.04
    n-butanol 375.61
    acetonitrile 501.74
    DMF 615.61
    toluene 386.03
    isobutanol 293.69
    1,4-dioxane 610.11
    methyl acetate 348.72
    THF 716.62
    2-butanone 415.48
    n-pentanol 311.19
    sec-butanol 302.56
    n-hexane 105.27
    ethylene glycol 59.36
    NMP 604.03
    cyclohexane 194.36
    DMSO 552.78
    n-butyl acetate 665.35
    n-octanol 174.01
    chloroform 2763.49
    n-propyl acetate 354.09
    acetic acid 735.51
    dichloromethane 2408.93
    cyclohexanone 819.01
    propylene glycol 74.34
    isopropyl acetate 226.03
    DMAc 507.39
    2-ethoxyethanol 302.21
    isopentanol 330.88
    n-heptane 82.02
    ethyl formate 515.38
    1,2-dichloroethane 1005.69
    n-hexanol 361.83
    2-methoxyethanol 445.08
    isobutyl acetate 233.96
    tetrachloromethane 553.67
    n-pentyl acetate 312.02
    transcutol 853.93
    n-heptanol 184.76
    ethylbenzene 220.95
    MIBK 196.3
    2-propoxyethanol 368.87
    tert-butanol 302.04
    MTBE 299.98
    2-butoxyethanol 267.77
    propionic acid 362.63
    o-xylene 218.17
    formic acid 212.26
    diethyl ether 353.19
    m-xylene 212.02
    p-xylene 341.47
    chlorobenzene 828.9
    dimethyl carbonate 140.37
    n-octane 38.53
    formamide 286.52
    cyclopentanone 731.17
    2-pentanone 328.3
    anisole 313.96
    cyclopentyl methyl ether 353.81
    gamma-butyrolactone 854.87
    1-methoxy-2-propanol 261.31
    pyridine 1107.76
    3-pentanone 288.87
    furfural 995.45
    n-dodecane 30.75
    diethylene glycol 197.9
    diisopropyl ether 100.83
    tert-amyl alcohol 329.27
    acetylacetone 344.29
    n-hexadecane 35.17
    acetophenone 314.11
    methyl propionate 262.84
    isopentyl acetate 497.46
    trichloroethylene 2187.38
    n-nonanol 153.86
    cyclohexanol 349.08
    benzyl alcohol 303.93
    2-ethylhexanol 259.52
    isooctanol 146.37
    dipropyl ether 265.42
    1,2-dichlorobenzene 703.74
    ethyl lactate 129.78
    propylene carbonate 640.53
    n-methylformamide 385.44
    2-pentanol 231.48
    n-pentane 87.55
    1-propoxy-2-propanol 292.0
    1-methoxy-2-propyl acetate 284.18
    2-(2-methoxypropoxy) propanol 213.83
    mesitylene 135.69
    ε-caprolactone 606.19
    p-cymene 165.48
    epichlorohydrin 856.7
    1,1,1-trichloroethane 1090.01
    2-aminoethanol 131.57
    morpholine-4-carbaldehyde 546.57
    sulfolane 810.04
    2,2,4-trimethylpentane 50.72
    2-methyltetrahydrofuran 561.31
    n-hexyl acetate 361.94
    isooctane 31.41
    2-(2-butoxyethoxy)ethanol 276.65
    sec-butyl acetate 203.28
    tert-butyl acetate 214.52
    decalin 79.95
    glycerin 106.93
    diglyme 526.39
    acrylic acid 344.45
    isopropyl myristate 139.48
    n-butyric acid 610.66
    acetyl acetate 316.33
    di(2-ethylhexyl) phthalate 150.59
    ethyl propionate 248.14
    nitromethane 834.55
    1,2-diethoxyethane 439.67
    benzonitrile 716.47
    trioctyl phosphate 103.79
    1-bromopropane 668.81
    gamma-valerolactone 811.48
    n-decanol 115.44
    triethyl phosphate 157.65
    4-methyl-2-pentanol 133.02
    propionitrile 490.29
    vinylene carbonate 658.56
    1,1,2-trichlorotrifluoroethane 604.79
    DMS 230.61
    cumene 156.75
    2-octanol 132.85
    2-hexanone 342.14
    octyl acetate 175.74
    limonene 226.34
    1,2-dimethoxyethane 596.24
    ethyl orthosilicate 156.97
    tributyl phosphate 141.78
    diacetone alcohol 202.22
    N,N-dimethylaniline 225.94
    acrylonitrile 615.36
    aniline 434.83
    1,3-propanediol 242.12
    bromobenzene 941.24
    dibromomethane 1570.25
    1,1,2,2-tetrachloroethane 1583.37
    2-methyl-cyclohexyl acetate 253.22
    tetrabutyl urea 173.59
    diisobutyl methanol 134.18
    2-phenylethanol 327.54
    styrene 322.84
    dioctyl adipate 201.11
    dimethyl sulfate 212.26
    ethyl butyrate 381.71
    methyl lactate 129.85
    butyl lactate 205.15
    diethyl carbonate 276.61
    propanediol butyl ether 202.96
    triethyl orthoformate 256.31
    p-tert-butyltoluene 142.86
    methyl 4-tert-butylbenzoate 229.64
    morpholine 605.36
    tert-butylamine 251.79
    n-dodecanol 91.68
    dimethoxymethane 314.58
    ethylene carbonate 535.99
    cyrene 190.56
    2-ethoxyethyl acetate 310.12
    2-ethylhexyl acetate 407.01
    1,2,4-trichlorobenzene 698.28
    4-methylpyridine 945.28
    dibutyl ether 282.21
    2,6-dimethyl-4-heptanol 134.18
    DEF 439.75
    dimethyl isosorbide 370.81
    tetrachloroethylene 1250.66
    eugenol 247.33
    triacetin 243.18
    span 80 214.26
    1,4-butanediol 115.11
    1,1-dichloroethane 1012.05
    2-methyl-1-pentanol 298.35
    methyl formate 356.28
    2-methyl-1-butanol 334.67
    n-decane 49.96
    butyronitrile 598.14
    3,7-dimethyl-1-octanol 175.21
    1-chlorooctane 183.6
    1-chlorotetradecane 71.43
    n-nonane 50.33
    undecane 37.7
    tert-butylcyclohexane 66.92
    cyclooctane 55.68
    cyclopentanol 336.95
    tetrahydropyran 648.37
    tert-amyl methyl ether 226.91
    2,5,8-trioxanonane 343.02
    1-hexene 307.92
    2-isopropoxyethanol 193.83
    2,2,2-trifluoroethanol 203.17
    methyl butyrate 415.35

    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