Trimethyl-2-propenylpyrazine

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  • Identifiers

    CAS number
    55138-71-1

    Molecular formula
    C10H14N2

    SMILES
    CC1=C(N=C(C(=N1)C)CC=C)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 52.65%
    Nutty 49.5%
    Earthy 49.21%
    Burnt 46.17%
    Musty 42.7%
    Hazelnut 38.05%
    Cocoa 34.85%
    Coffee 34.12%
    Chocolate 31.32%
    Potato 30.95%

     

    Flavor
    Nutty 53.4%
    Roasted 49.07%
    Cocoa 42.06%
    Hazelnut 36.89%
    Musty 36.12%
    Roast 35.19%
    Meaty 34.86%
    Burnt 34.69%
    Potato 32.17%
    Coffee 31.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    4.72 (weak acid)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 88.54 ˚C est.

  • Synonyms

    • Trimethyl-2-propenylpyrazine
    • 2,3,5-trimethyl-6-(prop-2-en-1-yl)pyrazine
    • Pyrazine, trimethyl-2-propenyl-
    • 2,3,5-trimethyl-6-prop-2-enylpyrazine
    • SCHEMBL20508951
    • CHEBI:166528
    • ZFPORMYSWAHSAQ-UHFFFAOYSA-N
    • 2-Allyl-3,5,6-trimethylpyrazine
    • DTXSID101272651
    • 2-Allyl-3,5,6-trimethylpyrazine #
    • 55138-71-1
    • 2,3,5-Trimethyl-6-(2-propen-1-yl)pyrazine
    • 55138-71-1

  • Applications

    Trimethyl-2-propenylpyrazine, CAS number: 55138-71-1, is a pyrazine derivative with a distinctive odor commonly used as an odorant in perfumes and fragrance formulations; it may be employed as a flavor/aroma component in food processing under regulatory limits; it is used in cosmetics and personal care as a fragrance ingredient; it is used in household products and cleaning applications as a fragrance additive; it may serve as a fragrance additive in coatings and inks; and it can function as an intermediate in organic synthesis for various industrial manufacturing applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 205.16
    methanol 269.87
    isopropanol 177.85
    water 1.69
    ethyl acetate 239.86
    n-propanol 243.4
    acetone 216.09
    n-butanol 246.67
    acetonitrile 137.36
    DMF 389.66
    toluene 292.1
    isobutanol 220.39
    1,4-dioxane 439.28
    methyl acetate 232.19
    THF 632.01
    2-butanone 284.73
    n-pentanol 194.85
    sec-butanol 237.65
    n-hexane 163.34
    ethylene glycol 47.3
    NMP 511.1
    cyclohexane 202.41
    DMSO 275.71
    n-butyl acetate 292.52
    n-octanol 170.41
    chloroform 1088.33
    n-propyl acetate 178.42
    acetic acid 151.2
    dichloromethane 913.09
    cyclohexanone 483.55
    propylene glycol 67.13
    isopropyl acetate 164.22
    DMAc 460.99
    2-ethoxyethanol 190.46
    isopentanol 215.24
    n-heptane 102.34
    ethyl formate 196.99
    1,2-dichloroethane 486.08
    n-hexanol 270.47
    2-methoxyethanol 264.16
    isobutyl acetate 153.33
    tetrachloromethane 309.07
    n-pentyl acetate 209.95
    transcutol 348.34
    n-heptanol 154.42
    ethylbenzene 203.92
    MIBK 167.12
    2-propoxyethanol 277.74
    tert-butanol 201.05
    MTBE 281.22
    2-butoxyethanol 192.67
    propionic acid 171.91
    o-xylene 233.29
    formic acid 56.32
    diethyl ether 315.49
    m-xylene 207.46
    p-xylene 275.7
    chlorobenzene 360.18
    dimethyl carbonate 119.44
    n-octane 55.92
    formamide 66.98
    cyclopentanone 501.18
    2-pentanone 231.99
    anisole 245.5
    cyclopentyl methyl ether 385.8
    gamma-butyrolactone 505.81
    1-methoxy-2-propanol 200.89
    pyridine 366.94
    3-pentanone 252.08
    furfural 456.15
    n-dodecane 41.5
    diethylene glycol 162.86
    diisopropyl ether 124.39
    tert-amyl alcohol 238.03
    acetylacetone 216.32
    n-hexadecane 46.83
    acetophenone 223.52
    methyl propionate 217.56
    isopentyl acetate 263.34
    trichloroethylene 821.96
    n-nonanol 146.71
    cyclohexanol 271.55
    benzyl alcohol 191.49
    2-ethylhexanol 203.78
    isooctanol 130.28
    dipropyl ether 228.0
    1,2-dichlorobenzene 351.79
    ethyl lactate 106.55
    propylene carbonate 333.22
    n-methylformamide 163.23
    2-pentanol 184.65
    n-pentane 121.71
    1-propoxy-2-propanol 215.55
    1-methoxy-2-propyl acetate 215.91
    2-(2-methoxypropoxy) propanol 160.23
    mesitylene 150.1
    ε-caprolactone 390.25
    p-cymene 155.44
    epichlorohydrin 524.92
    1,1,1-trichloroethane 526.85
    2-aminoethanol 92.91
    morpholine-4-carbaldehyde 401.35
    sulfolane 565.48
    2,2,4-trimethylpentane 74.07
    2-methyltetrahydrofuran 505.45
    n-hexyl acetate 268.08
    isooctane 42.16
    2-(2-butoxyethoxy)ethanol 185.74
    sec-butyl acetate 148.27
    tert-butyl acetate 175.73
    decalin 100.48
    glycerin 80.97
    diglyme 329.19
    acrylic acid 146.58
    isopropyl myristate 122.48
    n-butyric acid 234.63
    acetyl acetate 164.21
    di(2-ethylhexyl) phthalate 125.64
    ethyl propionate 183.73
    nitromethane 196.92
    1,2-diethoxyethane 237.13
    benzonitrile 267.75
    trioctyl phosphate 94.92
    1-bromopropane 413.37
    gamma-valerolactone 481.72
    n-decanol 113.79
    triethyl phosphate 128.88
    4-methyl-2-pentanol 113.79
    propionitrile 204.62
    vinylene carbonate 326.97
    1,1,2-trichlorotrifluoroethane 307.68
    DMS 210.33
    cumene 158.5
    2-octanol 134.48
    2-hexanone 210.51
    octyl acetate 154.97
    limonene 203.08
    1,2-dimethoxyethane 354.8
    ethyl orthosilicate 126.93
    tributyl phosphate 116.85
    diacetone alcohol 158.75
    N,N-dimethylaniline 214.79
    acrylonitrile 202.04
    aniline 229.83
    1,3-propanediol 141.96
    bromobenzene 423.03
    dibromomethane 689.83
    1,1,2,2-tetrachloroethane 739.59
    2-methyl-cyclohexyl acetate 198.07
    tetrabutyl urea 142.27
    diisobutyl methanol 112.18
    2-phenylethanol 222.27
    styrene 219.56
    dioctyl adipate 156.94
    dimethyl sulfate 184.4
    ethyl butyrate 210.14
    methyl lactate 107.95
    butyl lactate 143.42
    diethyl carbonate 157.44
    propanediol butyl ether 148.78
    triethyl orthoformate 166.7
    p-tert-butyltoluene 143.75
    methyl 4-tert-butylbenzoate 194.69
    morpholine 388.17
    tert-butylamine 173.13
    n-dodecanol 92.53
    dimethoxymethane 284.32
    ethylene carbonate 270.84
    cyrene 181.35
    2-ethoxyethyl acetate 211.17
    2-ethylhexyl acetate 246.85
    1,2,4-trichlorobenzene 401.01
    4-methylpyridine 418.51
    dibutyl ether 224.36
    2,6-dimethyl-4-heptanol 112.18
    DEF 307.5
    dimethyl isosorbide 301.36
    tetrachloroethylene 542.54
    eugenol 178.71
    triacetin 191.91
    span 80 160.12
    1,4-butanediol 83.61
    1,1-dichloroethane 487.24
    2-methyl-1-pentanol 207.46
    methyl formate 158.48
    2-methyl-1-butanol 249.74
    n-decane 65.19
    butyronitrile 250.52
    3,7-dimethyl-1-octanol 156.77
    1-chlorooctane 178.49
    1-chlorotetradecane 79.73
    n-nonane 70.28
    undecane 50.17
    tert-butylcyclohexane 94.99
    cyclooctane 87.39
    cyclopentanol 278.54
    tetrahydropyran 492.65
    tert-amyl methyl ether 268.84
    2,5,8-trioxanonane 232.83
    1-hexene 287.81
    2-isopropoxyethanol 153.56
    2,2,2-trifluoroethanol 84.45
    methyl butyrate 237.32

    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