Vinylpyrazine

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  • Identifiers

    CAS number
    4177-16-6

    Molecular formula
    C6H6N2

    SMILES
    C=CC1=NC=CN=C1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Nutty 70.26%
    Green 57.23%
    Roasted 46.26%
    Burnt 44.32%
    Musty 40.08%
    Pungent 39.14%
    Popcorn 37.45%
    Cocoa 36.38%
    Coffee 32.44%
    Earthy 30.07%

    Scent© AI

  • Properties

    XLogP3-AA
    0.6

    Molecular weight
    106.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    176°C

    Flash point est.
    64.38 ˚C

  • Synonyms

    • 2-Vinylpyrazine
    • 4177-16-6
    • 2-ethenylpyrazine
    • Vinylpyrazine
    • Pyrazine, ethenyl-
    • Pyrazine, vinyl-
    • ethenylpyrazine
    • UNII-Y6TPK237O6
    • 2-Vinylpyrazine (stabilized with TBC)
    • Y6TPK237O6
    • EINECS 224-045-2
    • PYRAZINE, 2-ETHENYL-
    • CHEMBL4559624
    • DTXSID80194592
    • vinyl pyrazine
    • 2ethenylpyrazine
    • MFCD00051591
    • 2-Vinylpyrazine, 97%
    • SCHEMBL195894
    • DTXCID20117083
    • BDBM50622810
    • AKOS015892512
    • FV35644
    • AS-78336
    • DB-070218
    • CS-0218038
    • NS00022165
    • V0060
    • EN300-98699
    • 2-Vinylpyrazine, >/=98%,stabilized with TBC
    • T72447
    • V30100
    • Q22027560
    • 2-Vinylpyrazine - Stabilised with 0.1% of hydroquinone
    • 224-045-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.62
    methanol 114.47
    isopropanol 80.73
    water 3.37
    ethyl acetate 223.42
    n-propanol 96.83
    acetone 317.27
    n-butanol 87.17
    acetonitrile 251.2
    DMF 398.17
    toluene 153.36
    isobutanol 80.27
    1,4-dioxane 375.86
    methyl acetate 220.06
    THF 397.0
    2-butanone 262.71
    n-pentanol 78.51
    sec-butanol 88.51
    n-hexane 21.93
    ethylene glycol 38.57
    NMP 508.47
    cyclohexane 32.61
    DMSO 650.67
    n-butyl acetate 163.69
    n-octanol 42.34
    chloroform 445.33
    n-propyl acetate 131.11
    acetic acid 192.52
    dichloromethane 524.46
    cyclohexanone 333.92
    propylene glycol 38.25
    isopropyl acetate 109.36
    DMAc 377.41
    2-ethoxyethanol 125.21
    isopentanol 75.59
    n-heptane 23.98
    ethyl formate 157.04
    1,2-dichloroethane 343.75
    n-hexanol 79.79
    2-methoxyethanol 172.69
    isobutyl acetate 79.76
    tetrachloromethane 117.35
    n-pentyl acetate 82.97
    transcutol 364.05
    n-heptanol 41.08
    ethylbenzene 54.35
    MIBK 90.21
    2-propoxyethanol 133.25
    tert-butanol 104.21
    MTBE 126.32
    2-butoxyethanol 80.95
    propionic acid 154.86
    o-xylene 92.82
    formic acid 66.8
    diethyl ether 157.63
    m-xylene 86.09
    p-xylene 81.17
    chlorobenzene 216.72
    dimethyl carbonate 86.3
    n-octane 10.31
    formamide 99.46
    cyclopentanone 412.21
    2-pentanone 184.09
    anisole 121.91
    cyclopentyl methyl ether 200.84
    gamma-butyrolactone 471.96
    1-methoxy-2-propanol 124.78
    pyridine 363.79
    3-pentanone 179.46
    furfural 435.14
    n-dodecane 8.44
    diethylene glycol 109.19
    diisopropyl ether 48.19
    tert-amyl alcohol 98.98
    acetylacetone 196.71
    n-hexadecane 9.56
    acetophenone 119.31
    methyl propionate 185.04
    isopentyl acetate 115.09
    trichloroethylene 545.38
    n-nonanol 39.08
    cyclohexanol 110.55
    benzyl alcohol 88.66
    2-ethylhexanol 60.87
    isooctanol 37.6
    dipropyl ether 101.38
    1,2-dichlorobenzene 167.64
    ethyl lactate 58.77
    propylene carbonate 235.35
    n-methylformamide 192.68
    2-pentanol 64.9
    n-pentane 21.92
    1-propoxy-2-propanol 102.68
    1-methoxy-2-propyl acetate 119.74
    2-(2-methoxypropoxy) propanol 87.93
    mesitylene 56.32
    ε-caprolactone 274.21
    p-cymene 47.1
    epichlorohydrin 448.2
    1,1,1-trichloroethane 320.97
    2-aminoethanol 60.51
    morpholine-4-carbaldehyde 369.62
    sulfolane 576.55
    2,2,4-trimethylpentane 16.2
    2-methyltetrahydrofuran 337.8
    n-hexyl acetate 100.33
    isooctane 10.62
    2-(2-butoxyethoxy)ethanol 115.04
    sec-butyl acetate 79.43
    tert-butyl acetate 100.06
    decalin 20.5
    glycerin 67.46
    diglyme 234.36
    acrylic acid 142.88
    isopropyl myristate 43.03
    n-butyric acid 188.03
    acetyl acetate 136.6
    di(2-ethylhexyl) phthalate 45.12
    ethyl propionate 112.81
    nitromethane 402.67
    1,2-diethoxyethane 160.8
    benzonitrile 178.84
    trioctyl phosphate 34.11
    1-bromopropane 195.13
    gamma-valerolactone 444.31
    n-decanol 32.42
    triethyl phosphate 57.7
    4-methyl-2-pentanol 39.69
    propionitrile 191.99
    vinylene carbonate 217.06
    1,1,2-trichlorotrifluoroethane 253.18
    DMS 105.29
    cumene 42.11
    2-octanol 30.96
    2-hexanone 125.57
    octyl acetate 55.77
    limonene 64.05
    1,2-dimethoxyethane 238.51
    ethyl orthosilicate 53.83
    tributyl phosphate 45.67
    diacetone alcohol 102.27
    N,N-dimethylaniline 88.08
    acrylonitrile 241.62
    aniline 151.45
    1,3-propanediol 80.42
    bromobenzene 236.59
    dibromomethane 357.8
    1,1,2,2-tetrachloroethane 404.14
    2-methyl-cyclohexyl acetate 75.63
    tetrabutyl urea 62.89
    diisobutyl methanol 40.74
    2-phenylethanol 83.24
    styrene 76.29
    dioctyl adipate 62.54
    dimethyl sulfate 171.63
    ethyl butyrate 118.93
    methyl lactate 82.52
    butyl lactate 63.06
    diethyl carbonate 80.85
    propanediol butyl ether 68.66
    triethyl orthoformate 77.75
    p-tert-butyltoluene 41.79
    methyl 4-tert-butylbenzoate 82.01
    morpholine 320.56
    tert-butylamine 67.58
    n-dodecanol 26.82
    dimethoxymethane 187.2
    ethylene carbonate 175.09
    cyrene 101.03
    2-ethoxyethyl acetate 113.53
    2-ethylhexyl acetate 94.93
    1,2,4-trichlorobenzene 201.34
    4-methylpyridine 339.17
    dibutyl ether 74.9
    2,6-dimethyl-4-heptanol 40.74
    DEF 257.53
    dimethyl isosorbide 166.62
    tetrachloroethylene 274.65
    eugenol 85.3
    triacetin 94.97
    span 80 70.28
    1,4-butanediol 46.86
    1,1-dichloroethane 331.13
    2-methyl-1-pentanol 72.06
    methyl formate 165.84
    2-methyl-1-butanol 80.1
    n-decane 12.28
    butyronitrile 168.41
    3,7-dimethyl-1-octanol 48.11
    1-chlorooctane 42.54
    1-chlorotetradecane 20.58
    n-nonane 12.29
    undecane 9.92
    tert-butylcyclohexane 19.35
    cyclooctane 13.4
    cyclopentanol 130.28
    tetrahydropyran 279.9
    tert-amyl methyl ether 99.96
    2,5,8-trioxanonane 161.11
    1-hexene 61.09
    2-isopropoxyethanol 94.07
    2,2,2-trifluoroethanol 88.69
    methyl butyrate 151.54

    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