Pyrazine, 2-methoxy-6-(2-methylpropyl)-

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  • Identifiers

    CAS number
    68039-33-8

    Molecular formula
    C9H14N2O

    SMILES
    CC(C)CC1=CN=CC(=N1)OC

    Safety labels

  • Odor profile

    Fragrance
    Green 82.39%
    Earthy 51.08%
    Vegetable 44.77%
    Fruity 42.65%
    Nutty 41.85%
    Leafy 36.85%
    Woody 35.65%
    Roasted 29.91%
    Cocoa 25.72%
    Potato 25.56%

     

    Flavor
    Green 45.95%
    Earthy 37.7%
    Pepper 36.02%
    Earth 35.89%
    Pea 32.81%
    Spice 30.84%
    Musty 30.71%
    Herbal 27.74%
    Roasted 27.68%
    Bell 26.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.44 (weak acid)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 106.19 ˚C est.

  • Synonyms

    • 2-Methoxy-6-(2-methylpropyl)pyrazine
    • Pyrazine, 2-methoxy-6-(2-methylpropyl)-
    • 68039-33-8
    • EINECS 268-251-0
    • DTXSID8071013
    • RefChem:870436
    • DTXCID2045444
    • 268-251-0
    • SCHEMBL30161570
    • LXCCBDKCWSQJKW-UHFFFAOYSA-
    • LXCCBDKCWSQJKW-UHFFFAOYSA-N
    • DB-116852
    • NS00036360
    • InChI=1/C9H14N2O/c1-7(2)4-8-5-10-6-9(11-8)12-3/h5-7H,4H2,1-3H3
    • 68039-33-8

  • Applications

    Pyrazine, 2-methoxy-6-(2-methylpropyl)- (CAS 68039-33-8) is used primarily as an odorant and fragrance ingredient, contributing roasted, nutty and savory notes in perfumery, flavor formulations and finished consumer products. It may be employed in cosmetics and personal care items, as well as household products, where a distinctive aroma is desired. It also serves as an intermediate in organic synthesis for the preparation of other heterocyclic compounds used in pharmaceuticals and specialty chemicals. In industrial manufacturing, it can act as a building block or additive for polymer, plastics, coatings or inks systems where aroma-active components are relevant. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 274.7
    methanol 404.44
    isopropanol 150.2
    water 2.92
    ethyl acetate 132.74
    n-propanol 190.62
    acetone 190.36
    n-butanol 171.36
    acetonitrile 103.4
    DMF 340.29
    toluene 48.1
    isobutanol 146.86
    1,4-dioxane 209.09
    methyl acetate 146.2
    THF 363.51
    2-butanone 118.53
    n-pentanol 91.41
    sec-butanol 128.38
    n-hexane 5.17
    ethylene glycol 164.59
    NMP 391.24
    cyclohexane 18.51
    DMSO 319.32
    n-butyl acetate 144.62
    n-octanol 45.13
    chloroform 631.92
    n-propyl acetate 72.82
    acetic acid 767.53
    dichloromethane 488.06
    cyclohexanone 298.33
    propylene glycol 193.26
    isopropyl acetate 72.38
    DMAc 231.99
    2-ethoxyethanol 140.96
    isopentanol 120.1
    n-heptane 6.01
    ethyl formate 167.38
    1,2-dichloroethane 248.45
    n-hexanol 154.54
    2-methoxyethanol 377.61
    isobutyl acetate 56.39
    tetrachloromethane 88.04
    n-pentyl acetate 62.52
    transcutol 371.57
    n-heptanol 57.23
    ethylbenzene 24.23
    MIBK 52.86
    2-propoxyethanol 239.21
    tert-butanol 174.46
    MTBE 76.44
    2-butoxyethanol 113.55
    propionic acid 301.41
    o-xylene 40.35
    formic acid 292.34
    diethyl ether 48.4
    m-xylene 39.72
    p-xylene 43.7
    chlorobenzene 158.7
    dimethyl carbonate 63.59
    n-octane 2.51
    formamide 232.87
    cyclopentanone 323.09
    2-pentanone 81.25
    anisole 58.22
    cyclopentyl methyl ether 117.98
    gamma-butyrolactone 450.86
    1-methoxy-2-propanol 207.55
    pyridine 241.26
    3-pentanone 59.83
    furfural 477.8
    n-dodecane 2.6
    diethylene glycol 246.65
    diisopropyl ether 14.2
    tert-amyl alcohol 140.25
    acetylacetone 120.19
    n-hexadecane 2.97
    acetophenone 83.43
    methyl propionate 108.31
    isopentyl acetate 122.28
    trichloroethylene 671.46
    n-nonanol 41.06
    cyclohexanol 177.72
    benzyl alcohol 101.94
    2-ethylhexanol 78.99
    isooctanol 45.46
    dipropyl ether 36.96
    1,2-dichlorobenzene 152.03
    ethyl lactate 66.98
    propylene carbonate 311.81
    n-methylformamide 224.66
    2-pentanol 74.95
    n-pentane 5.51
    1-propoxy-2-propanol 142.99
    1-methoxy-2-propyl acetate 123.26
    2-(2-methoxypropoxy) propanol 102.38
    mesitylene 25.01
    ε-caprolactone 266.54
    p-cymene 35.54
    epichlorohydrin 396.46
    1,1,1-trichloroethane 261.91
    2-aminoethanol 228.51
    morpholine-4-carbaldehyde 300.51
    sulfolane 477.2
    2,2,4-trimethylpentane 8.01
    2-methyltetrahydrofuran 218.58
    n-hexyl acetate 91.1
    isooctane 4.3
    2-(2-butoxyethoxy)ethanol 143.59
    sec-butyl acetate 46.03
    tert-butyl acetate 73.85
    decalin 9.16
    glycerin 255.32
    diglyme 208.73
    acrylic acid 330.12
    isopropyl myristate 32.23
    n-butyric acid 393.28
    acetyl acetate 131.67
    di(2-ethylhexyl) phthalate 61.37
    ethyl propionate 56.23
    nitromethane 497.78
    1,2-diethoxyethane 69.32
    benzonitrile 145.67
    trioctyl phosphate 42.57
    1-bromopropane 93.4
    gamma-valerolactone 431.06
    n-decanol 32.32
    triethyl phosphate 53.69
    4-methyl-2-pentanol 43.21
    propionitrile 99.96
    vinylene carbonate 305.78
    1,1,2-trichlorotrifluoroethane 454.09
    DMS 90.4
    cumene 23.78
    2-octanol 32.37
    2-hexanone 59.25
    octyl acetate 50.21
    limonene 55.34
    1,2-dimethoxyethane 157.43
    ethyl orthosilicate 49.68
    tributyl phosphate 50.45
    diacetone alcohol 114.25
    N,N-dimethylaniline 48.8
    acrylonitrile 158.04
    aniline 131.26
    1,3-propanediol 273.02
    bromobenzene 137.99
    dibromomethane 272.25
    1,1,2,2-tetrachloroethane 533.95
    2-methyl-cyclohexyl acetate 89.05
    tetrabutyl urea 60.48
    diisobutyl methanol 38.07
    2-phenylethanol 122.27
    styrene 32.75
    dioctyl adipate 63.51
    dimethyl sulfate 109.04
    ethyl butyrate 74.38
    methyl lactate 106.52
    butyl lactate 83.09
    diethyl carbonate 65.23
    propanediol butyl ether 128.37
    triethyl orthoformate 64.21
    p-tert-butyltoluene 33.08
    methyl 4-tert-butylbenzoate 89.7
    morpholine 265.86
    tert-butylamine 85.89
    n-dodecanol 25.4
    dimethoxymethane 127.61
    ethylene carbonate 230.55
    cyrene 124.42
    2-ethoxyethyl acetate 90.41
    2-ethylhexyl acetate 91.89
    1,2,4-trichlorobenzene 201.11
    4-methylpyridine 207.03
    dibutyl ether 30.19
    2,6-dimethyl-4-heptanol 38.07
    DEF 117.96
    dimethyl isosorbide 178.91
    tetrachloroethylene 363.24
    eugenol 104.29
    triacetin 100.16
    span 80 115.06
    1,4-butanediol 101.46
    1,1-dichloroethane 237.7
    2-methyl-1-pentanol 85.94
    methyl formate 203.44
    2-methyl-1-butanol 124.63
    n-decane 3.68
    butyronitrile 118.29
    3,7-dimethyl-1-octanol 49.0
    1-chlorooctane 23.75
    1-chlorotetradecane 10.84
    n-nonane 3.23
    undecane 3.04
    tert-butylcyclohexane 8.58
    cyclooctane 4.71
    cyclopentanol 218.93
    tetrahydropyran 169.15
    tert-amyl methyl ether 58.45
    2,5,8-trioxanonane 150.07
    1-hexene 21.83
    2-isopropoxyethanol 88.43
    2,2,2-trifluoroethanol 243.15
    methyl butyrate 90.77

    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