2-Ethoxy-3-isopropylpyrazine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72797-16-1

    Molecular formula
    C9H14N2O

    SMILES
    CCOC1=NC=CN=C1C(C)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 84.25%
    Earthy 70.07%
    Nutty 67.69%
    Vegetable 59.13%
    Roasted 51.63%
    Potato 44.58%
    Musty 40.24%
    Cocoa 38.32%
    Woody 35.63%
    Hazelnut 32.57%

     

    Flavor
    Earthy 51.26%
    Green 46.87%
    Earth 38.69%
    Pepper 37.65%
    Musty 34.39%
    Pea 32.59%
    Roasted 29.64%
    Nutty 28.93%
    Bell 28.36%
    Potato 27.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.76 (weak acid)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 95.89 ˚C est.

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Ethoxy-3-isopropylpyrazine
    • 72797-16-1
    • 2-ethoxy-3-propan-2-ylpyrazine
    • Pyrazine, 2-ethoxy-3-(1-methylethyl)-
    • EINECS 276-847-7
    • SU7E06NLO9
    • DTXSID2072598
    • FEMA NO. 4632
    • 2-ethoxy-3-(propan-2-yl)pyrazine
    • 2-ETHOXY-3-(1-METHYLETHYL) PYRAZINE
    • UNII-SU7E06NLO9
    • 2-isopropyl-3-ethoxypyrazine
    • MFCD00038029
    • 2-Ethoxy3-isopropylpyrazine
    • SCHEMBL430323
    • DTXCID8047343
    • LTAUBPVQMBOANV-UHFFFAOYSA-
    • 2-Ethoxy-3-(1-methylethyl)pyrazine
    • GS2588
    • AKOS015839003
    • AS-59451
    • CS-0313899
    • E0716
    • NS00022731
    • T72883
    • Q27289402
    • InChI=1/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3
    • 276-847-7

  • Applications

    2-Ethoxy-3-isopropylpyrazine (CAS 72797-16-1) is primarily used as an odorant in perfumery and fragrance formulations, serving as a fragrance and aroma component in various consumer products. It is also evaluated for use as a flavor/aroma additive in processed foods and as a fragrance ingredient in cosmetics and personal care. Additionally, it appears in household products such as air fresheners and cleaners to impart distinct scents. In industrial manufacturing, 2-Ethoxy-3-isopropylpyrazine can function as an intermediate in the synthesis of aroma compounds and other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 637.92
    methanol 689.41
    isopropanol 490.89
    water 2.69
    ethyl acetate 561.69
    n-propanol 557.28
    acetone 887.13
    n-butanol 491.84
    acetonitrile 724.11
    DMF 1068.45
    toluene 363.96
    isobutanol 436.54
    1,4-dioxane 781.95
    methyl acetate 601.89
    THF 1140.34
    2-butanone 616.57
    n-pentanol 377.27
    sec-butanol 494.88
    n-hexane 79.35
    ethylene glycol 183.68
    NMP 977.99
    cyclohexane 203.59
    DMSO 933.56
    n-butyl acetate 600.54
    n-octanol 295.85
    chloroform 3610.72
    n-propyl acetate 403.34
    acetic acid 1175.83
    dichloromethane 3499.04
    cyclohexanone 1111.51
    propylene glycol 240.97
    isopropyl acetate 301.95
    DMAc 700.64
    2-ethoxyethanol 421.72
    isopentanol 349.89
    n-heptane 91.54
    ethyl formate 706.87
    1,2-dichloroethane 1514.15
    n-hexanol 441.87
    2-methoxyethanol 683.92
    isobutyl acetate 236.06
    tetrachloromethane 568.74
    n-pentyl acetate 377.66
    transcutol 625.91
    n-heptanol 258.84
    ethylbenzene 231.84
    MIBK 245.61
    2-propoxyethanol 493.76
    tert-butanol 432.41
    MTBE 310.19
    2-butoxyethanol 333.99
    propionic acid 717.77
    o-xylene 259.09
    formic acid 325.45
    diethyl ether 357.73
    m-xylene 239.18
    p-xylene 372.73
    chlorobenzene 924.11
    dimethyl carbonate 273.74
    n-octane 50.35
    formamide 403.79
    cyclopentanone 1131.08
    2-pentanone 450.92
    anisole 354.74
    cyclopentyl methyl ether 487.71
    gamma-butyrolactone 1398.54
    1-methoxy-2-propanol 475.55
    pyridine 1249.07
    3-pentanone 368.82
    furfural 1405.58
    n-dodecane 48.83
    diethylene glycol 335.76
    diisopropyl ether 115.12
    tert-amyl alcohol 401.44
    acetylacetone 521.85
    n-hexadecane 56.09
    acetophenone 403.42
    methyl propionate 491.89
    isopentyl acetate 421.09
    trichloroethylene 3162.56
    n-nonanol 243.73
    cyclohexanol 589.43
    benzyl alcohol 406.18
    2-ethylhexanol 286.6
    isooctanol 196.23
    dipropyl ether 268.9
    1,2-dichlorobenzene 804.1
    ethyl lactate 236.26
    propylene carbonate 1017.41
    n-methylformamide 712.02
    2-pentanol 312.8
    n-pentane 83.91
    1-propoxy-2-propanol 375.19
    1-methoxy-2-propyl acetate 350.27
    2-(2-methoxypropoxy) propanol 253.25
    mesitylene 164.28
    ε-caprolactone 911.86
    p-cymene 218.6
    epichlorohydrin 1439.07
    1,1,1-trichloroethane 1454.55
    2-aminoethanol 297.21
    morpholine-4-carbaldehyde 795.26
    sulfolane 1546.79
    2,2,4-trimethylpentane 54.06
    2-methyltetrahydrofuran 799.03
    n-hexyl acetate 539.64
    isooctane 32.87
    2-(2-butoxyethoxy)ethanol 338.66
    sec-butyl acetate 219.74
    tert-butyl acetate 258.67
    decalin 88.92
    glycerin 283.07
    diglyme 618.54
    acrylic acid 707.31
    isopropyl myristate 189.01
    n-butyric acid 868.87
    acetyl acetate 408.98
    di(2-ethylhexyl) phthalate 206.67
    ethyl propionate 338.74
    nitromethane 1314.87
    1,2-diethoxyethane 321.81
    benzonitrile 791.4
    trioctyl phosphate 171.13
    1-bromopropane 791.32
    gamma-valerolactone 1218.86
    n-decanol 180.78
    triethyl phosphate 196.83
    4-methyl-2-pentanol 149.6
    propionitrile 625.85
    vinylene carbonate 1068.07
    1,1,2-trichlorotrifluoroethane 1032.63
    DMS 362.52
    cumene 177.9
    2-octanol 217.51
    2-hexanone 356.21
    octyl acetate 275.06
    limonene 287.81
    1,2-dimethoxyethane 638.02
    ethyl orthosilicate 175.18
    tributyl phosphate 203.1
    diacetone alcohol 296.12
    N,N-dimethylaniline 257.01
    acrylonitrile 862.3
    aniline 493.34
    1,3-propanediol 409.93
    bromobenzene 1056.24
    dibromomethane 2256.07
    1,1,2,2-tetrachloroethane 2411.72
    2-methyl-cyclohexyl acetate 306.8
    tetrabutyl urea 248.21
    diisobutyl methanol 149.9
    2-phenylethanol 403.24
    styrene 313.78
    dioctyl adipate 285.88
    dimethyl sulfate 412.72
    ethyl butyrate 381.41
    methyl lactate 286.87
    butyl lactate 303.41
    diethyl carbonate 318.77
    propanediol butyl ether 353.57
    triethyl orthoformate 255.56
    p-tert-butyltoluene 190.92
    methyl 4-tert-butylbenzoate 343.63
    morpholine 857.64
    tert-butylamine 292.12
    n-dodecanol 146.06
    dimethoxymethane 542.91
    ethylene carbonate 801.52
    cyrene 300.93
    2-ethoxyethyl acetate 371.07
    2-ethylhexyl acetate 351.78
    1,2,4-trichlorobenzene 890.61
    4-methylpyridine 977.01
    dibutyl ether 286.76
    2,6-dimethyl-4-heptanol 149.9
    DEF 542.88
    dimethyl isosorbide 457.21
    tetrachloroethylene 1659.21
    eugenol 330.87
    triacetin 375.3
    span 80 302.85
    1,4-butanediol 222.93
    1,1-dichloroethane 1541.97
    2-methyl-1-pentanol 304.71
    methyl formate 709.09
    2-methyl-1-butanol 394.2
    n-decane 72.89
    butyronitrile 694.52
    3,7-dimethyl-1-octanol 236.98
    1-chlorooctane 273.21
    1-chlorotetradecane 109.84
    n-nonane 73.46
    undecane 58.02
    tert-butylcyclohexane 75.43
    cyclooctane 58.61
    cyclopentanol 665.85
    tetrahydropyran 823.46
    tert-amyl methyl ether 251.03
    2,5,8-trioxanonane 403.29
    1-hexene 242.85
    2-isopropoxyethanol 279.26
    2,2,2-trifluoroethanol 372.03
    methyl butyrate 499.13

    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