2-Isopropoxy-3-methylpyrazine

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  • Identifiers

    CAS number
    94089-22-2

    Molecular formula
    C8H12N2O

    SMILES
    CC1=NC=CN=C1OC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 66.0%
    Fruity 63.24%
    Nutty 54.17%
    Earthy 52.34%
    Sweet 51.33%
    Roasted 39.79%
    Cocoa 39.65%
    Vegetable 37.82%
    Musty 35.99%
    Chocolate 34.6%

     

    Flavor
    Earthy 48.12%
    Roasted 39.15%
    Nutty 37.91%
    Green 35.8%
    Musty 35.48%
    Earth 32.66%
    Potato 32.38%
    Burnt 31.39%
    Pepper 28.88%
    Coffee 28.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.05 (weak acid)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 86.69 ˚C est.

  • Synonyms

    • 2-Isopropoxy-3-methylpyrazine
    • 94089-22-2
    • 2-Methyl-3-isopropoxypyrazine
    • 2-methyl-3-propan-2-yloxypyrazine
    • 2-Methyl-3-(1-methylethoxy)pyrazine
    • EINECS 302-122-2
    • 5X4RX72JSE
    • 2-methyl-3-(propan-2-yloxy)pyrazine
    • DTXSID40240504
    • 2-ISOPROPOXY-3-METHYL-PYRAZINE
    • 2-ISO-PROPOXY-3-METHYL PYRAZINE
    • Pyrazine, 2-methyl-3-(1-methylethoxy)-
    • 2-Isopropoxy-3-methyl pyrazine
    • MFCD00059772
    • UNII-5X4RX72JSE
    • SCHEMBL8382615
    • FRCMVXLVVCXOHO-UHFFFAOYSA-
    • DTXCID00162995
    • FRCMVXLVVCXOHO-UHFFFAOYSA-N
    • AKOS015842588
    • Pyrazine,2-methyl-3-(1-methylethoxy)-
    • AS-59840
    • CS-0315366
    • M0808
    • NS00065155
    • T73088
    • InChI=1/C8H12N2O/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3
    • 302-122-2

  • Applications

    2-Isopropoxy-3-methylpyrazine (CAS 94089-22-2) is a heteroaromatic pyrazine derivative bearing an isopropoxy substituent, commonly encountered as an odorant or fragrance ingredient and as a building block in fragrance chemistry. In practical applications, it may serve as an odorant or aroma modifier in perfumery and cosmetics/personal care, contributing nutty or roasted notes typical of pyrazine derivatives; it may be evaluated for use as a flavor/aroma contributor in food processing under appropriate regulatory controls; it can act as an intermediate in industrial manufacturing for synthesis of more complex pyrazine-based specialty chemicals used in coatings, inks, and polymer materials; and it may be used in household products and cleaners as a scent component. Its use is contingent on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.1
    methanol 298.17
    isopropanol 161.84
    water 3.57
    ethyl acetate 165.58
    n-propanol 184.12
    acetone 235.34
    n-butanol 157.65
    acetonitrile 190.72
    DMF 433.9
    toluene 136.88
    isobutanol 158.81
    1,4-dioxane 270.41
    methyl acetate 194.88
    THF 380.45
    2-butanone 205.29
    n-pentanol 126.01
    sec-butanol 172.78
    n-hexane 33.34
    ethylene glycol 97.69
    NMP 423.71
    cyclohexane 67.36
    DMSO 388.25
    n-butyl acetate 166.79
    n-octanol 114.63
    chloroform 784.76
    n-propyl acetate 112.35
    acetic acid 272.23
    dichloromethane 830.93
    cyclohexanone 340.42
    propylene glycol 117.16
    isopropyl acetate 96.2
    DMAc 445.17
    2-ethoxyethanol 150.46
    isopentanol 121.13
    n-heptane 38.89
    ethyl formate 187.96
    1,2-dichloroethane 355.14
    n-hexanol 163.08
    2-methoxyethanol 260.38
    isobutyl acetate 81.44
    tetrachloromethane 139.75
    n-pentyl acetate 116.79
    transcutol 241.27
    n-heptanol 96.07
    ethylbenzene 101.79
    MIBK 90.2
    2-propoxyethanol 196.13
    tert-butanol 168.09
    MTBE 138.0
    2-butoxyethanol 127.03
    propionic acid 212.86
    o-xylene 125.44
    formic acid 103.13
    diethyl ether 129.18
    m-xylene 101.22
    p-xylene 151.72
    chlorobenzene 239.01
    dimethyl carbonate 91.12
    n-octane 22.32
    formamide 104.45
    cyclopentanone 358.1
    2-pentanone 145.28
    anisole 145.16
    cyclopentyl methyl ether 178.89
    gamma-butyrolactone 404.95
    1-methoxy-2-propanol 188.58
    pyridine 327.09
    3-pentanone 145.21
    furfural 444.16
    n-dodecane 24.22
    diethylene glycol 161.05
    diisopropyl ether 45.67
    tert-amyl alcohol 173.33
    acetylacetone 158.32
    n-hexadecane 26.96
    acetophenone 162.28
    methyl propionate 169.28
    isopentyl acetate 136.48
    trichloroethylene 682.28
    n-nonanol 97.31
    cyclohexanol 180.17
    benzyl alcohol 143.72
    2-ethylhexanol 120.05
    isooctanol 78.81
    dipropyl ether 104.26
    1,2-dichlorobenzene 248.78
    ethyl lactate 101.42
    propylene carbonate 281.25
    n-methylformamide 202.14
    2-pentanol 106.87
    n-pentane 37.22
    1-propoxy-2-propanol 149.06
    1-methoxy-2-propyl acetate 139.0
    2-(2-methoxypropoxy) propanol 138.44
    mesitylene 67.4
    ε-caprolactone 291.83
    p-cymene 94.87
    epichlorohydrin 388.86
    1,1,1-trichloroethane 360.99
    2-aminoethanol 134.26
    morpholine-4-carbaldehyde 339.48
    sulfolane 524.89
    2,2,4-trimethylpentane 28.97
    2-methyltetrahydrofuran 268.56
    n-hexyl acetate 174.85
    isooctane 15.94
    2-(2-butoxyethoxy)ethanol 150.39
    sec-butyl acetate 75.65
    tert-butyl acetate 95.24
    decalin 41.96
    glycerin 145.22
    diglyme 262.17
    acrylic acid 215.63
    isopropyl myristate 79.49
    n-butyric acid 222.03
    acetyl acetate 120.65
    di(2-ethylhexyl) phthalate 98.31
    ethyl propionate 111.03
    nitromethane 307.9
    1,2-diethoxyethane 122.28
    benzonitrile 225.08
    trioctyl phosphate 75.79
    1-bromopropane 226.39
    gamma-valerolactone 382.65
    n-decanol 79.98
    triethyl phosphate 95.3
    4-methyl-2-pentanol 63.97
    propionitrile 184.34
    vinylene carbonate 315.93
    1,1,2-trichlorotrifluoroethane 337.39
    DMS 148.77
    cumene 82.71
    2-octanol 79.52
    2-hexanone 121.41
    octyl acetate 109.32
    limonene 127.65
    1,2-dimethoxyethane 249.91
    ethyl orthosilicate 85.1
    tributyl phosphate 85.74
    diacetone alcohol 116.12
    N,N-dimethylaniline 137.91
    acrylonitrile 235.97
    aniline 160.06
    1,3-propanediol 153.55
    bromobenzene 267.84
    dibromomethane 537.59
    1,1,2,2-tetrachloroethane 577.35
    2-methyl-cyclohexyl acetate 127.01
    tetrabutyl urea 112.02
    diisobutyl methanol 66.88
    2-phenylethanol 158.59
    styrene 120.19
    dioctyl adipate 124.71
    dimethyl sulfate 167.89
    ethyl butyrate 137.11
    methyl lactate 121.89
    butyl lactate 114.47
    diethyl carbonate 117.34
    propanediol butyl ether 140.85
    triethyl orthoformate 104.16
    p-tert-butyltoluene 85.63
    methyl 4-tert-butylbenzoate 155.55
    morpholine 270.39
    tert-butylamine 122.56
    n-dodecanol 69.02
    dimethoxymethane 216.32
    ethylene carbonate 231.15
    cyrene 151.92
    2-ethoxyethyl acetate 133.51
    2-ethylhexyl acetate 120.9
    1,2,4-trichlorobenzene 284.77
    4-methylpyridine 301.37
    dibutyl ether 107.42
    2,6-dimethyl-4-heptanol 66.88
    DEF 229.64
    dimethyl isosorbide 209.27
    tetrachloroethylene 400.87
    eugenol 146.56
    triacetin 161.25
    span 80 147.84
    1,4-butanediol 89.16
    1,1-dichloroethane 352.46
    2-methyl-1-pentanol 119.52
    methyl formate 201.4
    2-methyl-1-butanol 143.0
    n-decane 34.1
    butyronitrile 184.85
    3,7-dimethyl-1-octanol 103.15
    1-chlorooctane 99.13
    1-chlorotetradecane 52.83
    n-nonane 32.64
    undecane 28.06
    tert-butylcyclohexane 37.34
    cyclooctane 24.29
    cyclopentanol 224.91
    tetrahydropyran 247.81
    tert-amyl methyl ether 132.05
    2,5,8-trioxanonane 200.64
    1-hexene 92.54
    2-isopropoxyethanol 106.35
    2,2,2-trifluoroethanol 108.37
    methyl butyrate 161.21

    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