Isopropylpyrazine

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  • Identifiers

    CAS number
    29460-90-0

    Molecular formula
    C7H10N2

    SMILES
    CC(C)C1=NC=CN=C1

  • Odor profile

    Fragrance
    Green 87.97%
    Nutty 75.06%
    Earthy 66.77%
    Roasted 58.1%
    Vegetable 57.14%
    Musty 48.62%
    Cocoa 46.86%
    Potato 45.34%
    Woody 41.71%
    Coffee 40.68%

     

    Flavor
    Green 78.53%
    Earthy 54.18%
    Nutty 52.02%
    Pepper 44.59%
    Musty 41.16%
    Vegetable 40.28%
    Raw 38.62%
    Earth 37.43%
    Herbal 36.54%
    Hazelnut 35.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.41 (weak acid)

    Molecular weight
    122.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 70.00 °C. @ 20.00 mm Hg

    Flash point

    • 71.21 ˚C est.

    Solubility expt.

    • soluble in water, organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 2-Isopropylpyrazine
    • Isopropylpyrazine
    • 29460-90-0
    • 2-propan-2-ylpyrazine
    • (1-Methylethyl)pyrazine
    • Pyrazine, (1-methylethyl)-
    • 2-Isopropyl pyrazine
    • Pyrazine, 2-(1-methylethyl)-
    • UNII-14XE115G58
    • EINECS 249-646-7
    • 2-(propan-2-yl)pyrazine
    • 14XE115G58
    • PYRAZINE, ISOPROPYL-
    • DTXSID5067471
    • FEMA NO. 3940
    • 2-ISOPROPYLPYRAZINE [FHFI]
    • (1-methylethyl)-Pyrazine
    • 2-(1-Methylethyl)-Pyrazine
    • SCHEMBL681871
    • (1-Methylethyl)pyrazine, 9CI
    • DTXCID4038003
    • SCHEMBL18431878
    • SCHEMBL19661169
    • FEMA 3940
    • CHEBI:191898
    • AKOS006229986
    • DB-003282
    • NS00022001
    • Q27251657
    • 249-646-7

  • Applications

    Isopropylpyrazine (CAS 29460-90-0) is primarily used as an odorant and flavor modifier in fragrance and flavor formulations; it is also employed as a fragrance component in cosmetics and personal care products. The compound is used in household products such as cleaners and air fresheners to impart scent, and in industrial manufacturing as an intermediate in the synthesis of specialty chemicals. Additionally, it may be applied as a scent additive in coatings and inks and related material processing systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.21
    methanol 187.84
    isopropanol 137.23
    water 2.85
    ethyl acetate 174.75
    n-propanol 166.32
    acetone 303.35
    n-butanol 146.04
    acetonitrile 218.01
    DMF 333.34
    toluene 127.51
    isobutanol 146.66
    1,4-dioxane 333.48
    methyl acetate 200.5
    THF 450.49
    2-butanone 269.42
    n-pentanol 113.57
    sec-butanol 147.62
    n-hexane 34.84
    ethylene glycol 53.55
    NMP 513.34
    cyclohexane 44.77
    DMSO 376.79
    n-butyl acetate 262.99
    n-octanol 87.72
    chloroform 874.93
    n-propyl acetate 138.64
    acetic acid 290.55
    dichloromethane 779.83
    cyclohexanone 453.19
    propylene glycol 69.58
    isopropyl acetate 105.62
    DMAc 275.87
    2-ethoxyethanol 125.42
    isopentanol 128.37
    n-heptane 32.18
    ethyl formate 175.56
    1,2-dichloroethane 392.98
    n-hexanol 175.32
    2-methoxyethanol 207.29
    isobutyl acetate 105.87
    tetrachloromethane 199.2
    n-pentyl acetate 134.08
    transcutol 396.8
    n-heptanol 94.63
    ethylbenzene 72.2
    MIBK 113.08
    2-propoxyethanol 203.68
    tert-butanol 169.25
    MTBE 166.34
    2-butoxyethanol 141.53
    propionic acid 215.25
    o-xylene 101.67
    formic acid 89.17
    diethyl ether 140.52
    m-xylene 94.25
    p-xylene 116.16
    chlorobenzene 296.13
    dimethyl carbonate 70.62
    n-octane 15.2
    formamide 88.01
    cyclopentanone 542.12
    2-pentanone 175.07
    anisole 125.73
    cyclopentyl methyl ether 230.38
    gamma-butyrolactone 597.03
    1-methoxy-2-propanol 148.38
    pyridine 322.38
    3-pentanone 166.48
    furfural 504.47
    n-dodecane 12.85
    diethylene glycol 137.54
    diisopropyl ether 52.92
    tert-amyl alcohol 173.37
    acetylacetone 176.61
    n-hexadecane 14.69
    acetophenone 142.83
    methyl propionate 151.67
    isopentyl acetate 204.95
    trichloroethylene 827.86
    n-nonanol 73.72
    cyclohexanol 171.73
    benzyl alcohol 121.37
    2-ethylhexanol 127.06
    isooctanol 80.05
    dipropyl ether 126.23
    1,2-dichlorobenzene 267.48
    ethyl lactate 75.67
    propylene carbonate 348.29
    n-methylformamide 181.56
    2-pentanol 105.23
    n-pentane 29.38
    1-propoxy-2-propanol 174.66
    1-methoxy-2-propyl acetate 159.58
    2-(2-methoxypropoxy) propanol 124.53
    mesitylene 66.51
    ε-caprolactone 351.81
    p-cymene 75.54
    epichlorohydrin 509.23
    1,1,1-trichloroethane 497.0
    2-aminoethanol 94.55
    morpholine-4-carbaldehyde 348.69
    sulfolane 736.01
    2,2,4-trimethylpentane 26.78
    2-methyltetrahydrofuran 385.87
    n-hexyl acetate 173.66
    isooctane 17.26
    2-(2-butoxyethoxy)ethanol 159.35
    sec-butyl acetate 89.98
    tert-butyl acetate 122.67
    decalin 30.66
    glycerin 97.52
    diglyme 281.16
    acrylic acid 213.29
    isopropyl myristate 66.33
    n-butyric acid 260.27
    acetyl acetate 118.37
    di(2-ethylhexyl) phthalate 81.45
    ethyl propionate 110.59
    nitromethane 369.66
    1,2-diethoxyethane 158.13
    benzonitrile 221.1
    trioctyl phosphate 62.63
    1-bromopropane 246.83
    gamma-valerolactone 500.89
    n-decanol 57.34
    triethyl phosphate 76.23
    4-methyl-2-pentanol 67.4
    propionitrile 206.66
    vinylene carbonate 312.69
    1,1,2-trichlorotrifluoroethane 347.09
    DMS 127.06
    cumene 62.74
    2-octanol 69.39
    2-hexanone 163.9
    octyl acetate 92.2
    limonene 108.99
    1,2-dimethoxyethane 209.15
    ethyl orthosilicate 71.04
    tributyl phosphate 76.32
    diacetone alcohol 144.53
    N,N-dimethylaniline 102.33
    acrylonitrile 260.71
    aniline 169.66
    1,3-propanediol 123.41
    bromobenzene 328.18
    dibromomethane 545.79
    1,1,2,2-tetrachloroethane 625.63
    2-methyl-cyclohexyl acetate 126.08
    tetrabutyl urea 93.42
    diisobutyl methanol 73.32
    2-phenylethanol 147.09
    styrene 90.64
    dioctyl adipate 96.4
    dimethyl sulfate 150.4
    ethyl butyrate 146.59
    methyl lactate 92.19
    butyl lactate 111.01
    diethyl carbonate 99.97
    propanediol butyl ether 126.79
    triethyl orthoformate 98.5
    p-tert-butyltoluene 70.21
    methyl 4-tert-butylbenzoate 134.57
    morpholine 313.1
    tert-butylamine 117.69
    n-dodecanol 45.67
    dimethoxymethane 140.61
    ethylene carbonate 244.02
    cyrene 144.27
    2-ethoxyethyl acetate 148.95
    2-ethylhexyl acetate 167.0
    1,2,4-trichlorobenzene 325.3
    4-methylpyridine 314.87
    dibutyl ether 104.23
    2,6-dimethyl-4-heptanol 73.32
    DEF 217.67
    dimethyl isosorbide 227.19
    tetrachloroethylene 443.37
    eugenol 136.15
    triacetin 136.26
    span 80 120.21
    1,4-butanediol 64.24
    1,1-dichloroethane 443.79
    2-methyl-1-pentanol 113.51
    methyl formate 168.64
    2-methyl-1-butanol 148.39
    n-decane 20.26
    butyronitrile 203.7
    3,7-dimethyl-1-octanol 88.04
    1-chlorooctane 82.59
    1-chlorotetradecane 32.87
    n-nonane 20.73
    undecane 15.78
    tert-butylcyclohexane 32.2
    cyclooctane 17.64
    cyclopentanol 225.9
    tetrahydropyran 304.05
    tert-amyl methyl ether 135.5
    2,5,8-trioxanonane 183.92
    1-hexene 103.22
    2-isopropoxyethanol 103.54
    2,2,2-trifluoroethanol 119.61
    methyl butyrate 167.44

    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