Pyrazine, 2-methoxy-5-(2-methylpropyl)-

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  • Identifiers

    CAS number
    36330-05-9

    Molecular formula
    C9H14N2O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 87.02%
    Earthy 55.7%
    Vegetable 49.54%
    Nutty 43.27%
    Leafy 39.33%
    Fruity 36.39%
    Woody 35.09%
    Roasted 28.86%
    Potato 27.35%
    Musty 27.12%

     

    Flavor
    Green 70.54%
    Earthy 46.88%
    Pepper 44.89%
    Earth 40.3%
    Pea 38.69%
    Herbal 37.03%
    Musty 33.69%
    Spice 32.97%
    Bell 30.14%
    Galbanum 29.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.88 (weak acid)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 104.8 ˚C est.

  • Synonyms

    • Pyrazine, 2-methoxy-5-(2-methylpropyl)-
    • 2-Methoxy-5-(2-methylpropyl)pyrazine
    • 36330-05-9
    • DTXSID80885650
    • RefChem:177445
    • DTXCID801025015
    • UUQFBIDVEIWACK-UHFFFAOYSA-N
    • 2-Isobutyl-5-methoxypyrazine #
    • SCHEMBL30665043
    • NS00114095
    • 36330-05-9

  • Applications

    Pyrazine, 2-methoxy-5-(2-methylpropyl)- (CAS 36330-05-9) is commonly evaluated as an aroma and flavor intermediate in fragrance and food-related formulations. In perfumery and flavor applications, it may contribute note characteristics such as nutty or roasted aspects and is used as a fragrance ingredient or flavor precursor. In cosmetics/personal care and household products, it can serve as a fragrance component to impart distinctive odor profiles in soaps, lotions, detergents, and air fresheners. In coatings/inks and polymers, it may be used as an odorant additive to impart aroma cues in packaging materials or finished articles. In industrial manufacturing, it can function as an intermediate in the synthesis of more complex aroma compounds and specialty chemicals, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 295.77
    methanol 366.82
    isopropanol 160.56
    water 0.72
    ethyl acetate 266.81
    n-propanol 213.62
    acetone 359.65
    n-butanol 200.15
    acetonitrile 220.68
    DMF 523.59
    toluene 135.34
    isobutanol 164.97
    1,4-dioxane 260.35
    methyl acetate 258.69
    THF 488.62
    2-butanone 299.19
    n-pentanol 128.78
    sec-butanol 164.56
    n-hexane 12.99
    ethylene glycol 130.51
    NMP 655.26
    cyclohexane 24.76
    DMSO 943.54
    n-butyl acetate 300.12
    n-octanol 51.67
    chloroform 1085.72
    n-propyl acetate 141.07
    acetic acid 714.69
    dichloromethane 1051.32
    cyclohexanone 518.98
    propylene glycol 179.79
    isopropyl acetate 129.45
    DMAc 439.98
    2-ethoxyethanol 237.47
    isopentanol 173.66
    n-heptane 9.25
    ethyl formate 268.75
    1,2-dichloroethane 655.6
    n-hexanol 191.92
    2-methoxyethanol 495.26
    isobutyl acetate 91.74
    tetrachloromethane 157.33
    n-pentyl acetate 109.24
    transcutol 954.57
    n-heptanol 64.63
    ethylbenzene 59.44
    MIBK 116.08
    2-propoxyethanol 343.45
    tert-butanol 217.99
    MTBE 149.29
    2-butoxyethanol 156.58
    propionic acid 325.58
    o-xylene 94.58
    formic acid 308.27
    diethyl ether 110.71
    m-xylene 99.51
    p-xylene 85.73
    chlorobenzene 316.27
    dimethyl carbonate 118.67
    n-octane 3.32
    formamide 359.06
    cyclopentanone 574.89
    2-pentanone 215.66
    anisole 142.05
    cyclopentyl methyl ether 224.71
    gamma-butyrolactone 703.38
    1-methoxy-2-propanol 319.41
    pyridine 391.63
    3-pentanone 167.92
    furfural 778.47
    n-dodecane 2.8
    diethylene glycol 321.4
    diisopropyl ether 34.49
    tert-amyl alcohol 217.63
    acetylacetone 275.97
    n-hexadecane 3.35
    acetophenone 169.61
    methyl propionate 239.43
    isopentyl acetate 251.61
    trichloroethylene 1557.35
    n-nonanol 45.96
    cyclohexanol 225.28
    benzyl alcohol 172.6
    2-ethylhexanol 119.21
    isooctanol 53.66
    dipropyl ether 71.68
    1,2-dichlorobenzene 321.97
    ethyl lactate 101.84
    propylene carbonate 426.06
    n-methylformamide 370.41
    2-pentanol 109.27
    n-pentane 11.34
    1-propoxy-2-propanol 236.69
    1-methoxy-2-propyl acetate 268.29
    2-(2-methoxypropoxy) propanol 182.42
    mesitylene 55.76
    ε-caprolactone 429.19
    p-cymene 60.19
    epichlorohydrin 830.27
    1,1,1-trichloroethane 562.24
    2-aminoethanol 215.14
    morpholine-4-carbaldehyde 493.75
    sulfolane 1035.01
    2,2,4-trimethylpentane 12.18
    2-methyltetrahydrofuran 374.56
    n-hexyl acetate 148.89
    isooctane 7.27
    2-(2-butoxyethoxy)ethanol 270.2
    sec-butyl acetate 91.04
    tert-butyl acetate 158.51
    decalin 15.3
    glycerin 265.8
    diglyme 433.45
    acrylic acid 364.36
    isopropyl myristate 48.69
    n-butyric acid 419.79
    acetyl acetate 205.48
    di(2-ethylhexyl) phthalate 82.47
    ethyl propionate 112.59
    nitromethane 769.0
    1,2-diethoxyethane 188.93
    benzonitrile 255.34
    trioctyl phosphate 52.28
    1-bromopropane 242.93
    gamma-valerolactone 677.95
    n-decanol 35.08
    triethyl phosphate 81.55
    4-methyl-2-pentanol 68.82
    propionitrile 189.27
    vinylene carbonate 410.91
    1,1,2-trichlorotrifluoroethane 816.19
    DMS 166.14
    cumene 45.86
    2-octanol 37.46
    2-hexanone 132.24
    octyl acetate 72.67
    limonene 91.25
    1,2-dimethoxyethane 268.35
    ethyl orthosilicate 77.26
    tributyl phosphate 78.84
    diacetone alcohol 242.01
    N,N-dimethylaniline 99.1
    acrylonitrile 286.23
    aniline 258.14
    1,3-propanediol 262.3
    bromobenzene 317.5
    dibromomethane 612.83
    1,1,2,2-tetrachloroethane 1140.8
    2-methyl-cyclohexyl acetate 136.19
    tetrabutyl urea 95.1
    diisobutyl methanol 57.64
    2-phenylethanol 199.58
    styrene 83.0
    dioctyl adipate 94.04
    dimethyl sulfate 254.27
    ethyl butyrate 152.73
    methyl lactate 178.2
    butyl lactate 132.1
    diethyl carbonate 113.24
    propanediol butyl ether 186.98
    triethyl orthoformate 105.46
    p-tert-butyltoluene 56.56
    methyl 4-tert-butylbenzoate 141.6
    morpholine 394.06
    tert-butylamine 115.71
    n-dodecanol 27.06
    dimethoxymethane 219.19
    ethylene carbonate 301.93
    cyrene 188.58
    2-ethoxyethyl acetate 192.2
    2-ethylhexyl acetate 186.89
    1,2,4-trichlorobenzene 412.46
    4-methylpyridine 391.84
    dibutyl ether 57.19
    2,6-dimethyl-4-heptanol 57.64
    DEF 252.77
    dimethyl isosorbide 318.03
    tetrachloroethylene 691.21
    eugenol 155.96
    triacetin 157.01
    span 80 158.18
    1,4-butanediol 113.75
    1,1-dichloroethane 509.26
    2-methyl-1-pentanol 141.6
    methyl formate 314.73
    2-methyl-1-butanol 184.51
    n-decane 4.54
    butyronitrile 204.15
    3,7-dimethyl-1-octanol 72.96
    1-chlorooctane 36.48
    1-chlorotetradecane 13.9
    n-nonane 4.21
    undecane 3.45
    tert-butylcyclohexane 13.94
    cyclooctane 8.04
    cyclopentanol 240.95
    tetrahydropyran 273.81
    tert-amyl methyl ether 129.03
    2,5,8-trioxanonane 273.18
    1-hexene 53.45
    2-isopropoxyethanol 149.32
    2,2,2-trifluoroethanol 234.24
    methyl butyrate 176.68

    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