2-Methyl-6-propoxypyrazine

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  • Identifiers

    CAS number
    67845-28-7

    Molecular formula
    C8H12N2O

    SMILES
    CCCOC1=NC(=CN=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 59.35%
    Green 57.57%
    Earthy 56.73%
    Roasted 50.72%
    Woody 37.65%
    Hazelnut 35.92%
    Vegetable 34.6%
    Cocoa 32.97%
    Musty 32.4%
    Potato 31.92%

     

    Flavor
    Earthy 36.06%
    Sweet 35.0%
    Nutty 32.67%
    Roasted 30.89%
    Musty 30.2%
    Potato 28.66%
    Coffee 27.19%
    Fruity 26.75%
    Cocoa 25.69%
    Caramel 25.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.0 (weak acid)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 95.76 ˚C est.

  • Synonyms

    • 2-Methyl-6-propoxypyrazine
    • 67845-28-7
    • Pyrazine, 2-methyl-6-propoxy-
    • 2-n-Propoxy-6-methylpyrazine
    • 2-Methyl-6-propoxy-pyrazine
    • EINECS 267-306-6
    • DTXSID2070685
    • NSC 270073
    • NSC-270073
    • MFCD00009780
    • NSC270073
    • 2-Methyl-6-propoxypyrazine #
    • SCHEMBL2491035
    • DTXCID2045109
    • M26K93R32M
    • AKOS006283052
    • DS-6278
    • DB-055069
    • CS-0132149
    • NS00055597
    • C76147
    • Pyrazine,2-methyl-6-propoxy; 2-Methyl-6-propoxy-pyrazine; 2-n-Propoxy-6-methylpyrazine
    • 267-306-6

  • Applications

    2-Methyl-6-propoxypyrazine (CAS 67845-28-7) is primarily used as an odorant in fragrance formulations and as a fragrance ingredient in cosmetics and personal care products; it is also encountered in household products such as cleaners and air fresheners; its aroma is evaluated for potential use as a flavor/aroma component in food processing; it can function as an odorant additive in coatings and printing inks; and it serves as an intermediate in organic synthesis for specialty chemicals. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 446.8
    methanol 704.34
    isopropanol 251.98
    water 3.76
    ethyl acetate 214.36
    n-propanol 306.44
    acetone 317.76
    n-butanol 296.37
    acetonitrile 221.11
    DMF 533.46
    toluene 120.81
    isobutanol 249.99
    1,4-dioxane 312.38
    methyl acetate 192.54
    THF 460.97
    2-butanone 202.51
    n-pentanol 224.81
    sec-butanol 241.61
    n-hexane 29.96
    ethylene glycol 164.6
    NMP 485.0
    cyclohexane 64.54
    DMSO 543.03
    n-butyl acetate 256.54
    n-octanol 118.75
    chloroform 1137.97
    n-propyl acetate 146.09
    acetic acid 961.87
    dichloromethane 994.88
    cyclohexanone 415.6
    propylene glycol 174.74
    isopropyl acetate 128.42
    DMAc 448.3
    2-ethoxyethanol 269.57
    isopentanol 234.04
    n-heptane 24.94
    ethyl formate 238.35
    1,2-dichloroethane 471.8
    n-hexanol 253.06
    2-methoxyethanol 476.86
    isobutyl acetate 102.12
    tetrachloromethane 145.63
    n-pentyl acetate 132.78
    transcutol 600.85
    n-heptanol 109.27
    ethylbenzene 73.82
    MIBK 106.62
    2-propoxyethanol 320.83
    tert-butanol 268.2
    MTBE 186.61
    2-butoxyethanol 181.81
    propionic acid 346.28
    o-xylene 95.34
    formic acid 371.59
    diethyl ether 161.6
    m-xylene 88.06
    p-xylene 121.02
    chlorobenzene 293.89
    dimethyl carbonate 99.44
    n-octane 12.09
    formamide 289.89
    cyclopentanone 390.54
    2-pentanone 164.73
    anisole 136.54
    cyclopentyl methyl ether 204.44
    gamma-butyrolactone 478.52
    1-methoxy-2-propanol 279.18
    pyridine 420.69
    3-pentanone 134.46
    furfural 566.31
    n-dodecane 13.1
    diethylene glycol 274.75
    diisopropyl ether 44.78
    tert-amyl alcohol 243.71
    acetylacetone 207.0
    n-hexadecane 14.57
    acetophenone 156.74
    methyl propionate 173.32
    isopentyl acetate 205.01
    trichloroethylene 1020.76
    n-nonanol 102.04
    cyclohexanol 284.04
    benzyl alcohol 184.48
    2-ethylhexanol 152.74
    isooctanol 86.4
    dipropyl ether 105.32
    1,2-dichlorobenzene 268.14
    ethyl lactate 108.99
    propylene carbonate 346.34
    n-methylformamide 296.63
    2-pentanol 163.47
    n-pentane 29.97
    1-propoxy-2-propanol 216.67
    1-methoxy-2-propyl acetate 169.05
    2-(2-methoxypropoxy) propanol 173.46
    mesitylene 59.38
    ε-caprolactone 340.32
    p-cymene 73.53
    epichlorohydrin 499.74
    1,1,1-trichloroethane 386.08
    2-aminoethanol 241.21
    morpholine-4-carbaldehyde 394.75
    sulfolane 593.69
    2,2,4-trimethylpentane 25.92
    2-methyltetrahydrofuran 323.9
    n-hexyl acetate 201.47
    isooctane 14.16
    2-(2-butoxyethoxy)ethanol 228.35
    sec-butyl acetate 90.85
    tert-butyl acetate 121.64
    decalin 32.2
    glycerin 249.11
    diglyme 352.54
    acrylic acid 372.66
    isopropyl myristate 74.22
    n-butyric acid 465.56
    acetyl acetate 205.14
    di(2-ethylhexyl) phthalate 105.69
    ethyl propionate 117.72
    nitromethane 633.85
    1,2-diethoxyethane 177.14
    benzonitrile 276.91
    trioctyl phosphate 77.0
    1-bromopropane 263.22
    gamma-valerolactone 488.9
    n-decanol 76.98
    triethyl phosphate 86.85
    4-methyl-2-pentanol 91.38
    propionitrile 217.05
    vinylene carbonate 372.88
    1,1,2-trichlorotrifluoroethane 490.28
    DMS 142.09
    cumene 60.84
    2-octanol 77.85
    2-hexanone 143.28
    octyl acetate 106.54
    limonene 108.97
    1,2-dimethoxyethane 344.09
    ethyl orthosilicate 83.18
    tributyl phosphate 95.7
    diacetone alcohol 150.73
    N,N-dimethylaniline 114.47
    acrylonitrile 287.9
    aniline 224.11
    1,3-propanediol 312.26
    bromobenzene 295.15
    dibromomethane 624.99
    1,1,2,2-tetrachloroethane 786.37
    2-methyl-cyclohexyl acetate 136.13
    tetrabutyl urea 118.19
    diisobutyl methanol 73.67
    2-phenylethanol 189.84
    styrene 104.68
    dioctyl adipate 124.77
    dimethyl sulfate 165.84
    ethyl butyrate 145.53
    methyl lactate 138.86
    butyl lactate 130.64
    diethyl carbonate 118.77
    propanediol butyl ether 193.13
    triethyl orthoformate 112.21
    p-tert-butyltoluene 65.72
    methyl 4-tert-butylbenzoate 146.09
    morpholine 382.15
    tert-butylamine 175.42
    n-dodecanol 62.05
    dimethoxymethane 243.0
    ethylene carbonate 281.98
    cyrene 166.65
    2-ethoxyethyl acetate 151.48
    2-ethylhexyl acetate 159.36
    1,2,4-trichlorobenzene 310.05
    4-methylpyridine 366.59
    dibutyl ether 111.96
    2,6-dimethyl-4-heptanol 73.67
    DEF 258.23
    dimethyl isosorbide 248.74
    tetrachloroethylene 544.67
    eugenol 172.37
    triacetin 170.76
    span 80 174.58
    1,4-butanediol 158.54
    1,1-dichloroethane 440.57
    2-methyl-1-pentanol 207.91
    methyl formate 262.73
    2-methyl-1-butanol 241.9
    n-decane 19.3
    butyronitrile 284.98
    3,7-dimethyl-1-octanol 113.08
    1-chlorooctane 78.3
    1-chlorotetradecane 35.53
    n-nonane 18.51
    undecane 15.3
    tert-butylcyclohexane 27.76
    cyclooctane 18.11
    cyclopentanol 286.63
    tetrahydropyran 329.35
    tert-amyl methyl ether 146.12
    2,5,8-trioxanonane 254.52
    1-hexene 100.46
    2-isopropoxyethanol 171.82
    2,2,2-trifluoroethanol 240.68
    methyl butyrate 182.61

    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