Isopropenyl pyrazine

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  • Identifiers

    CAS number
    38713-41-6

    Molecular formula
    C7H8N2

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

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Nutty 76.02%
    Roasted 68.19%
    Popcorn 48.87%
    Burnt 48.8%
    Musty 48.47%
    Coffee 46.38%
    Hazelnut 44.32%
    Green 43.87%
    Cocoa 43.47%
    Earthy 42.97%

     

    Flavor
    Nutty 78.94%
    Roasted 56.12%
    Hazelnut 47.57%
    Popcorn 46.67%
    Chocolate 42.92%
    Roast 42.91%
    Cocoa 41.92%
    Corn 41.63%
    Musty 37.07%
    Chip 35.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    4.73 (weak acid)

    Molecular weight
    120.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 75.54 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Isopropenylpyrazine
    • 38713-41-6
    • 2-(prop-1-en-2-yl)pyrazine
    • 2-Isopropenylpyrazine
    • Pyrazine, (1-methylethenyl)-
    • 2-prop-1-en-2-ylpyrazine
    • ISOPROPENYL PYRAZINE
    • (1-Methylethenyl)pyrazine
    • FEMA No. 3296
    • Pyrazine, 2-(1-methylethenyl)-
    • 2-(1-Methylvinyl)pyrazine
    • 2-Isopropenyl-1,4-diazine
    • 2-(alpha-Methylvinyl)pyrazine
    • Prazine, (1-methylethenyl)-
    • D901VJ3P4X
    • DTXSID2068135
    • ISOPROPENYLPYRAZINE [FHFI]
    • (.ALPHA.-METHYLVINYL)PYRAZINE
    • 1-Methylethenylpyrazine
    • UNII-D901VJ3P4X
    • Caramel pyrazine
    • (1-METHYLENE-ETHYL)PYRAZINE
    • Isopropenylpyrazine, 8CI
    • (1-methylethenyl)-Prazine
    • (1-methylethenyl)-Pyrazine
    • 1-(Methyl ethenyl)pyrazine
    • 2-(1-Methyl vinyl) pyrazine
    • 2-(1-Methylethenyl)-Pyrazine
    • SCHEMBL3504579
    • DTXCID2039548
    • FEMA 3296
    • CHEBI:193692
    • (ALPHA-METHYLVINYL)PYRAZINE
    • NBA71341
    • AKOS006238360
    • NS00114093
    • Q27276252
    • 662-720-7

  • Applications

    Isopropenyl pyrazine (CAS 38713-41-6) may be used as an odorant and fragrance intermediate, and as a synthetic precursor in fragrance chemistry. Typical applications include perfumery/fragrance as an aroma component; cosmetics/personal care as a fragrance ingredient; household products as an odorant additive in cleaners and other formulations; and polymers/plastics as a functional intermediate or potential reactive monomer for specialty materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.63
    methanol 160.18
    isopropanol 122.99
    water 5.95
    ethyl acetate 160.68
    n-propanol 150.53
    acetone 258.56
    n-butanol 127.27
    acetonitrile 185.46
    DMF 336.81
    toluene 117.51
    isobutanol 134.27
    1,4-dioxane 307.23
    methyl acetate 182.23
    THF 355.24
    2-butanone 243.3
    n-pentanol 102.53
    sec-butanol 141.27
    n-hexane 20.03
    ethylene glycol 52.68
    NMP 368.3
    cyclohexane 24.2
    DMSO 329.01
    n-butyl acetate 146.16
    n-octanol 64.58
    chloroform 493.71
    n-propyl acetate 100.96
    acetic acid 210.35
    dichloromethane 445.3
    cyclohexanone 317.71
    propylene glycol 66.33
    isopropyl acetate 87.43
    DMAc 303.61
    2-ethoxyethanol 133.13
    isopentanol 111.87
    n-heptane 22.08
    ethyl formate 140.24
    1,2-dichloroethane 247.44
    n-hexanol 131.21
    2-methoxyethanol 205.76
    isobutyl acetate 74.05
    tetrachloromethane 102.44
    n-pentyl acetate 85.29
    transcutol 348.86
    n-heptanol 70.2
    ethylbenzene 58.0
    MIBK 97.57
    2-propoxyethanol 174.63
    tert-butanol 157.63
    MTBE 149.07
    2-butoxyethanol 114.74
    propionic acid 166.5
    o-xylene 89.38
    formic acid 82.95
    diethyl ether 129.91
    m-xylene 81.41
    p-xylene 87.2
    chlorobenzene 180.87
    dimethyl carbonate 66.67
    n-octane 10.08
    formamide 86.28
    cyclopentanone 358.63
    2-pentanone 156.93
    anisole 116.61
    cyclopentyl methyl ether 192.06
    gamma-butyrolactone 374.88
    1-methoxy-2-propanol 152.57
    pyridine 251.02
    3-pentanone 150.08
    furfural 360.48
    n-dodecane 8.33
    diethylene glycol 135.88
    diisopropyl ether 43.38
    tert-amyl alcohol 152.16
    acetylacetone 155.92
    n-hexadecane 9.28
    acetophenone 115.83
    methyl propionate 139.06
    isopentyl acetate 124.07
    trichloroethylene 495.51
    n-nonanol 56.68
    cyclohexanol 135.34
    benzyl alcohol 105.01
    2-ethylhexanol 89.7
    isooctanol 60.46
    dipropyl ether 92.43
    1,2-dichlorobenzene 156.49
    ethyl lactate 62.34
    propylene carbonate 206.5
    n-methylformamide 165.03
    2-pentanol 92.22
    n-pentane 20.81
    1-propoxy-2-propanol 134.44
    1-methoxy-2-propyl acetate 120.0
    2-(2-methoxypropoxy) propanol 107.14
    mesitylene 52.02
    ε-caprolactone 231.33
    p-cymene 51.41
    epichlorohydrin 361.88
    1,1,1-trichloroethane 277.4
    2-aminoethanol 92.48
    morpholine-4-carbaldehyde 291.89
    sulfolane 419.69
    2,2,4-trimethylpentane 18.79
    2-methyltetrahydrofuran 298.17
    n-hexyl acetate 111.57
    isooctane 12.46
    2-(2-butoxyethoxy)ethanol 140.21
    sec-butyl acetate 66.47
    tert-butyl acetate 97.6
    decalin 19.39
    glycerin 97.53
    diglyme 242.84
    acrylic acid 153.11
    isopropyl myristate 47.69
    n-butyric acid 195.66
    acetyl acetate 96.11
    di(2-ethylhexyl) phthalate 56.49
    ethyl propionate 85.85
    nitromethane 311.94
    1,2-diethoxyethane 128.22
    benzonitrile 147.99
    trioctyl phosphate 42.66
    1-bromopropane 162.48
    gamma-valerolactone 362.24
    n-decanol 45.85
    triethyl phosphate 54.35
    4-methyl-2-pentanol 59.42
    propionitrile 161.41
    vinylene carbonate 193.69
    1,1,2-trichlorotrifluoroethane 235.85
    DMS 97.33
    cumene 48.85
    2-octanol 50.85
    2-hexanone 117.45
    octyl acetate 65.42
    limonene 71.26
    1,2-dimethoxyethane 201.36
    ethyl orthosilicate 53.12
    tributyl phosphate 50.34
    diacetone alcohol 121.7
    N,N-dimethylaniline 91.95
    acrylonitrile 191.46
    aniline 150.91
    1,3-propanediol 121.84
    bromobenzene 187.19
    dibromomethane 301.91
    1,1,2,2-tetrachloroethane 350.47
    2-methyl-cyclohexyl acetate 84.25
    tetrabutyl urea 65.1
    diisobutyl methanol 52.91
    2-phenylethanol 111.4
    styrene 71.46
    dioctyl adipate 66.99
    dimethyl sulfate 129.88
    ethyl butyrate 97.55
    methyl lactate 83.35
    butyl lactate 72.54
    diethyl carbonate 67.34
    propanediol butyl ether 101.07
    triethyl orthoformate 68.94
    p-tert-butyltoluene 48.77
    methyl 4-tert-butylbenzoate 100.15
    morpholine 275.03
    tert-butylamine 104.15
    n-dodecanol 37.14
    dimethoxymethane 156.56
    ethylene carbonate 152.8
    cyrene 115.02
    2-ethoxyethyl acetate 107.52
    2-ethylhexyl acetate 98.92
    1,2,4-trichlorobenzene 188.39
    4-methylpyridine 251.56
    dibutyl ether 75.0
    2,6-dimethyl-4-heptanol 52.91
    DEF 198.1
    dimethyl isosorbide 170.31
    tetrachloroethylene 242.93
    eugenol 104.66
    triacetin 99.55
    span 80 92.18
    1,4-butanediol 61.31
    1,1-dichloroethane 277.77
    2-methyl-1-pentanol 101.32
    methyl formate 149.89
    2-methyl-1-butanol 127.98
    n-decane 13.21
    butyronitrile 150.67
    3,7-dimethyl-1-octanol 68.83
    1-chlorooctane 51.65
    1-chlorotetradecane 21.74
    n-nonane 13.33
    undecane 10.11
    tert-butylcyclohexane 21.05
    cyclooctane 10.38
    cyclopentanol 170.86
    tetrahydropyran 248.39
    tert-amyl methyl ether 119.89
    2,5,8-trioxanonane 161.87
    1-hexene 66.26
    2-isopropoxyethanol 104.94
    2,2,2-trifluoroethanol 96.79
    methyl butyrate 119.36

    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