Propylpyrazine

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  • Identifiers

    CAS number
    18138-03-9

    Molecular formula
    C7H10N2

    SMILES
    CCCC1=NC=CN=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 76.59%
    Nutty 74.52%
    Roasted 65.42%
    Earthy 57.05%
    Vegetable 51.08%
    Musty 49.76%
    Cocoa 48.14%
    Hazelnut 45.69%
    Potato 40.85%
    Burnt 36.33%

     

    Flavor
    Green 83.46%
    Nutty 76.56%
    Vegetable 52.29%
    Roasted 47.74%
    Earthy 46.71%
    Fatty 42.9%
    Raw 42.54%
    Pepper 41.24%
    Musty 40.73%
    Hazelnut 36.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    3.89 (weak acid)

    Molecular weight
    122.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 65.00 °C. @ 12.00 mm Hg

    Flash point

    • 75.14 ˚C est.

    Solubility expt.

    • soluble in water, organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 2-Propylpyrazine
    • 18138-03-9
    • Propylpyrazine
    • N-PROPYLPYRAZINE
    • Pyrazine, propyl-
    • Pyrazine, 2-propyl-
    • 2-propyl-pyrazine
    • propyl-pyrazine
    • UNII-62VZ3AQA6L
    • Pyrazine, 2-(n-propyl)-
    • 62VZ3AQA6L
    • 2-(N-Propyl)-Pyrazine
    • EINECS 242-023-0
    • 2-N-PROPYL PYRAZINE
    • 2-PROPYL-1,4-DIAZINE
    • DTXSID1066316
    • FEMA NO. 3961
    • FEMA 3961
    • 2-propyl pyrazine
    • n-Propylpyrazin
    • MFCD00049214
    • SCHEMBL309452
    • 2-Propylpyrazine, 97%, FG
    • DTXCID9035753
    • CHEBI:193622
    • AKOS006228793
    • CS-W013549
    • DS-12174
    • DB-000169
    • NS00021775
    • P1833
    • D70525
    • EN300-7417400
    • Q27263521
    • 242-023-0

  • Applications

    Propylpyrazine (CAS 18138-03-9) is primarily used as an aroma compound in perfumery and flavors, contributing nutty, roasted, and green notes depending on formulation. It may be used in cosmetics and personal care as a fragrance ingredient, and in household products such as cleaners or air fresheners to impart specific scent profiles. It also serves as an intermediate in industrial manufacturing, used to synthesize other pyrazine derivatives or related heterocyclic compounds. It is evaluated for use as a flavor/aroma additive in food processing, and may function as an odorant component in coatings, inks, and adhesives where odor performance is relevant. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.64
    methanol 267.4
    isopropanol 122.06
    water 1.4
    ethyl acetate 100.98
    n-propanol 163.47
    acetone 154.23
    n-butanol 142.75
    acetonitrile 141.96
    DMF 409.04
    toluene 105.48
    isobutanol 126.46
    1,4-dioxane 196.5
    methyl acetate 101.93
    THF 259.32
    2-butanone 117.4
    n-pentanol 108.09
    sec-butanol 109.18
    n-hexane 18.85
    ethylene glycol 79.55
    NMP 417.89
    cyclohexane 50.97
    DMSO 498.0
    n-butyl acetate 196.53
    n-octanol 73.16
    chloroform 734.76
    n-propyl acetate 83.09
    acetic acid 329.82
    dichloromethane 781.0
    cyclohexanone 290.27
    propylene glycol 75.87
    isopropyl acetate 56.18
    DMAc 258.73
    2-ethoxyethanol 123.32
    isopentanol 105.56
    n-heptane 38.43
    ethyl formate 139.93
    1,2-dichloroethane 336.47
    n-hexanol 184.24
    2-methoxyethanol 214.95
    isobutyl acetate 56.99
    tetrachloromethane 138.72
    n-pentyl acetate 80.1
    transcutol 368.55
    n-heptanol 74.19
    ethylbenzene 52.87
    MIBK 55.83
    2-propoxyethanol 211.41
    tert-butanol 121.35
    MTBE 69.91
    2-butoxyethanol 112.49
    propionic acid 190.23
    o-xylene 73.64
    formic acid 118.64
    diethyl ether 79.03
    m-xylene 68.09
    p-xylene 77.42
    chlorobenzene 258.88
    dimethyl carbonate 55.98
    n-octane 12.21
    formamide 121.93
    cyclopentanone 278.27
    2-pentanone 91.04
    anisole 93.86
    cyclopentyl methyl ether 129.11
    gamma-butyrolactone 339.29
    1-methoxy-2-propanol 138.26
    pyridine 343.79
    3-pentanone 78.56
    furfural 417.45
    n-dodecane 11.59
    diethylene glycol 162.21
    diisopropyl ether 25.64
    tert-amyl alcohol 102.47
    acetylacetone 102.22
    n-hexadecane 12.98
    acetophenone 106.43
    methyl propionate 99.61
    isopentyl acetate 140.8
    trichloroethylene 655.62
    n-nonanol 61.56
    cyclohexanol 149.58
    benzyl alcohol 111.09
    2-ethylhexanol 113.54
    isooctanol 56.33
    dipropyl ether 109.66
    1,2-dichlorobenzene 242.69
    ethyl lactate 61.6
    propylene carbonate 248.39
    n-methylformamide 212.3
    2-pentanol 73.42
    n-pentane 20.33
    1-propoxy-2-propanol 159.67
    1-methoxy-2-propyl acetate 118.53
    2-(2-methoxypropoxy) propanol 109.06
    mesitylene 44.41
    ε-caprolactone 227.38
    p-cymene 69.57
    epichlorohydrin 316.81
    1,1,1-trichloroethane 284.99
    2-aminoethanol 123.8
    morpholine-4-carbaldehyde 298.98
    sulfolane 459.46
    2,2,4-trimethylpentane 14.52
    2-methyltetrahydrofuran 189.28
    n-hexyl acetate 111.25
    isooctane 10.03
    2-(2-butoxyethoxy)ethanol 139.69
    sec-butyl acetate 44.92
    tert-butyl acetate 55.62
    decalin 23.94
    glycerin 109.25
    diglyme 242.38
    acrylic acid 193.06
    isopropyl myristate 48.99
    n-butyric acid 228.55
    acetyl acetate 74.51
    di(2-ethylhexyl) phthalate 71.54
    ethyl propionate 68.06
    nitromethane 290.73
    1,2-diethoxyethane 127.29
    benzonitrile 222.77
    trioctyl phosphate 51.39
    1-bromopropane 193.13
    gamma-valerolactone 320.42
    n-decanol 47.69
    triethyl phosphate 65.14
    4-methyl-2-pentanol 41.74
    propionitrile 158.08
    vinylene carbonate 274.85
    1,1,2-trichlorotrifluoroethane 299.06
    DMS 89.74
    cumene 43.54
    2-octanol 46.21
    2-hexanone 82.71
    octyl acetate 67.65
    limonene 104.22
    1,2-dimethoxyethane 182.55
    ethyl orthosilicate 59.89
    tributyl phosphate 65.03
    diacetone alcohol 81.07
    N,N-dimethylaniline 77.77
    acrylonitrile 220.3
    aniline 154.57
    1,3-propanediol 134.58
    bromobenzene 278.89
    dibromomethane 505.44
    1,1,2,2-tetrachloroethane 515.03
    2-methyl-cyclohexyl acetate 99.23
    tetrabutyl urea 92.59
    diisobutyl methanol 58.26
    2-phenylethanol 139.31
    styrene 79.74
    dioctyl adipate 84.79
    dimethyl sulfate 108.67
    ethyl butyrate 121.35
    methyl lactate 80.12
    butyl lactate 85.54
    diethyl carbonate 94.19
    propanediol butyl ether 107.9
    triethyl orthoformate 87.01
    p-tert-butyltoluene 59.46
    methyl 4-tert-butylbenzoate 106.65
    morpholine 223.77
    tert-butylamine 84.86
    n-dodecanol 39.83
    dimethoxymethane 140.86
    ethylene carbonate 198.69
    cyrene 107.59
    2-ethoxyethyl acetate 97.51
    2-ethylhexyl acetate 117.47
    1,2,4-trichlorobenzene 261.05
    4-methylpyridine 263.16
    dibutyl ether 77.56
    2,6-dimethyl-4-heptanol 58.26
    DEF 161.71
    dimethyl isosorbide 189.26
    tetrachloroethylene 377.2
    eugenol 113.83
    triacetin 98.17
    span 80 118.45
    1,4-butanediol 73.76
    1,1-dichloroethane 287.22
    2-methyl-1-pentanol 91.37
    methyl formate 158.33
    2-methyl-1-butanol 112.56
    n-decane 15.9
    butyronitrile 177.45
    3,7-dimethyl-1-octanol 68.12
    1-chlorooctane 59.38
    1-chlorotetradecane 28.47
    n-nonane 15.54
    undecane 13.27
    tert-butylcyclohexane 20.09
    cyclooctane 16.5
    cyclopentanol 173.91
    tetrahydropyran 196.23
    tert-amyl methyl ether 58.81
    2,5,8-trioxanonane 186.87
    1-hexene 64.05
    2-isopropoxyethanol 79.69
    2,2,2-trifluoroethanol 93.37
    methyl butyrate 109.56

    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