2,3,5-Trimethylpyrazine

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  • Identifiers

    CAS number
    14667-55-1

    Molecular formula
    C7H10N2

    SMILES
    CC1=CN=C(C(=N1)C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1000.0
    • Carbowax: 1388.83

  • Odor profile

    Fragrance
    Nutty 83.02%
    Roasted 79.58%
    Cocoa 71.37%
    Hazelnut 65.68%
    Musty 63.97%
    Coffee 63.34%
    Earthy 62.22%
    Burnt 61.74%
    Chocolate 59.97%
    Potato 52.78%

     

    Flavor
    Nutty 72.15%
    Cocoa 71.18%
    Roasted 63.67%
    Coffee 60.41%
    Musty 57.12%
    Roast 51.47%
    Hazelnut 51.15%
    Potato 50.62%
    Burnt 47.39%
    Earthy 44.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    3.46 (weak acid)

    Molecular weight
    122.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point

    • 59.68 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 2,3,5-Trimethylpyrazine
    • 14667-55-1
    • TRIMETHYLPYRAZINE
    • Pyrazine, trimethyl-
    • Pyrazine, 2,3,5-trimethyl-
    • 2,3,5-Trimethyl pyrazine
    • 2,3,6-Trimethylpyrazine
    • trimethyl pyrazine
    • FEMA No. 3244
    • CCRIS 2932
    • Q8PR0W8TIT
    • EINECS 238-712-0
    • 2,3,5-Trimethyl pyrazine (natural)
    • BRN 0002423
    • DTXSID1047075
    • AI3-34442
    • 2,3,5-Trimethyl-pyrazine
    • Pyrazine, 2,3,5-trimethyl
    • DTXCID9027075
    • FEMA 3244
    • CHEBI:190131
    • 2,3,5-TRIMETHYLPYRAZINE [FCC]
    • 2,3,5-TRIMETHYLPYRAZINE [FHFI]
    • UNII-Q8PR0W8TIT
    • MFCD00006145
    • SCHEMBL107646
    • CHEMBL320146
    • 2,3,5-Trimethylpyrazine, 99%
    • Tox21_302314
    • AKOS015842577
    • CS-W011192
    • FT35643
    • HY-W010476
    • NCGC00256135-01
    • AC-10654
    • PD158279
    • CAS-14667-55-1
    • DB-003800
    • NS00013306
    • T0942
    • 2,3,5-Trimethylpyrazine, analytical standard
    • 2,3,5-Trimethylpyrazine, >=99%, FCC, FG
    • EN300-201680
    • 2,3,5-Trimethylpyrazine, natural, >=95%, FG
    • Q21099097
    • InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H
    • 238-712-0

  • Applications

    2,3,5-Trimethylpyrazine (CAS 14667-55-1) is commonly used as an odorant and flavoring ingredient, providing nutty, roasted notes that are valued in perfumery and flavor applications. It is often employed in cosmetics and personal care products to contribute a roasted aroma nuance, and in household products to impart distinctive fragrance. In industrial manufacturing, it can function as a fragrance additive or aroma component and may serve as an intermediate in organic synthesis for specialty chemicals related to aroma compounds. It can also be used as an odorant or aroma additive in polymers/plastics, coatings, and inks formulations, helping to mask unwanted odors or enhance scent profiles. It should be used in accordance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 418.02
    methanol 764.87
    isopropanol 299.1
    water 22.35
    ethyl acetate 277.27
    n-propanol 404.55
    acetone 253.0
    n-butanol 368.56
    acetonitrile 191.81
    DMF 512.32
    toluene 230.86
    isobutanol 318.63
    1,4-dioxane 459.51
    methyl acetate 265.59
    THF 561.09
    2-butanone 316.61
    n-pentanol 247.48
    sec-butanol 337.87
    n-hexane 110.39
    ethylene glycol 140.81
    NMP 598.33
    cyclohexane 90.34
    DMSO 403.53
    n-butyl acetate 205.24
    n-octanol 130.39
    chloroform 922.05
    n-propyl acetate 144.84
    acetic acid 234.85
    dichloromethane 894.73
    cyclohexanone 423.5
    propylene glycol 149.93
    isopropyl acetate 179.58
    DMAc 528.94
    2-ethoxyethanol 300.63
    isopentanol 262.1
    n-heptane 62.33
    ethyl formate 236.02
    1,2-dichloroethane 457.91
    n-hexanol 248.0
    2-methoxyethanol 489.56
    isobutyl acetate 114.05
    tetrachloromethane 321.75
    n-pentyl acetate 164.26
    transcutol 426.39
    n-heptanol 137.14
    ethylbenzene 132.01
    MIBK 162.58
    2-propoxyethanol 339.93
    tert-butanol 273.25
    MTBE 305.88
    2-butoxyethanol 217.38
    propionic acid 257.79
    o-xylene 186.51
    formic acid 183.94
    diethyl ether 333.0
    m-xylene 165.99
    p-xylene 185.23
    chlorobenzene 290.9
    dimethyl carbonate 127.47
    n-octane 33.61
    formamide 177.52
    cyclopentanone 462.99
    2-pentanone 258.7
    anisole 216.15
    cyclopentyl methyl ether 358.66
    gamma-butyrolactone 501.85
    1-methoxy-2-propanol 340.23
    pyridine 325.19
    3-pentanone 258.14
    furfural 499.0
    n-dodecane 25.99
    diethylene glycol 235.82
    diisopropyl ether 117.92
    tert-amyl alcohol 306.95
    acetylacetone 238.06
    n-hexadecane 28.59
    acetophenone 189.26
    methyl propionate 258.87
    isopentyl acetate 194.65
    trichloroethylene 697.56
    n-nonanol 113.1
    cyclohexanol 267.31
    benzyl alcohol 184.33
    2-ethylhexanol 156.33
    isooctanol 110.25
    dipropyl ether 182.23
    1,2-dichlorobenzene 290.89
    ethyl lactate 105.0
    propylene carbonate 282.37
    n-methylformamide 309.75
    2-pentanol 242.12
    n-pentane 94.6
    1-propoxy-2-propanol 235.39
    1-methoxy-2-propyl acetate 191.24
    2-(2-methoxypropoxy) propanol 155.13
    mesitylene 115.33
    ε-caprolactone 369.17
    p-cymene 107.16
    epichlorohydrin 543.41
    1,1,1-trichloroethane 506.54
    2-aminoethanol 244.09
    morpholine-4-carbaldehyde 491.08
    sulfolane 589.42
    2,2,4-trimethylpentane 56.86
    2-methyltetrahydrofuran 510.45
    n-hexyl acetate 209.42
    isooctane 33.89
    2-(2-butoxyethoxy)ethanol 195.57
    sec-butyl acetate 122.82
    tert-butyl acetate 176.18
    decalin 63.95
    glycerin 190.93
    diglyme 374.24
    acrylic acid 214.58
    isopropyl myristate 92.0
    n-butyric acid 299.48
    acetyl acetate 171.39
    di(2-ethylhexyl) phthalate 95.1
    ethyl propionate 167.7
    nitromethane 307.67
    1,2-diethoxyethane 224.15
    benzonitrile 234.06
    trioctyl phosphate 72.74
    1-bromopropane 385.43
    gamma-valerolactone 537.68
    n-decanol 86.3
    triethyl phosphate 104.01
    4-methyl-2-pentanol 121.77
    propionitrile 250.57
    vinylene carbonate 278.74
    1,1,2-trichlorotrifluoroethane 380.42
    DMS 172.81
    cumene 110.05
    2-octanol 105.64
    2-hexanone 180.58
    octyl acetate 117.11
    limonene 142.65
    1,2-dimethoxyethane 388.96
    ethyl orthosilicate 103.8
    tributyl phosphate 89.5
    diacetone alcohol 188.02
    N,N-dimethylaniline 182.32
    acrylonitrile 260.83
    aniline 250.76
    1,3-propanediol 288.17
    bromobenzene 307.57
    dibromomethane 629.82
    1,1,2,2-tetrachloroethane 633.98
    2-methyl-cyclohexyl acetate 147.13
    tetrabutyl urea 112.12
    diisobutyl methanol 89.91
    2-phenylethanol 188.02
    styrene 145.85
    dioctyl adipate 111.06
    dimethyl sulfate 206.56
    ethyl butyrate 159.08
    methyl lactate 149.52
    butyl lactate 125.53
    diethyl carbonate 118.36
    propanediol butyl ether 156.15
    triethyl orthoformate 128.98
    p-tert-butyltoluene 103.49
    methyl 4-tert-butylbenzoate 177.72
    morpholine 454.98
    tert-butylamine 216.95
    n-dodecanol 69.01
    dimethoxymethane 344.45
    ethylene carbonate 233.87
    cyrene 170.98
    2-ethoxyethyl acetate 182.01
    2-ethylhexyl acetate 172.4
    1,2,4-trichlorobenzene 338.04
    4-methylpyridine 406.72
    dibutyl ether 165.16
    2,6-dimethyl-4-heptanol 89.91
    DEF 359.03
    dimethyl isosorbide 276.52
    tetrachloroethylene 490.25
    eugenol 163.17
    triacetin 156.7
    span 80 137.29
    1,4-butanediol 149.49
    1,1-dichloroethane 485.0
    2-methyl-1-pentanol 217.15
    methyl formate 242.24
    2-methyl-1-butanol 311.78
    n-decane 39.63
    butyronitrile 283.01
    3,7-dimethyl-1-octanol 127.07
    1-chlorooctane 122.57
    1-chlorotetradecane 54.62
    n-nonane 41.41
    undecane 31.0
    tert-butylcyclohexane 67.7
    cyclooctane 42.86
    cyclopentanol 331.98
    tetrahydropyran 402.82
    tert-amyl methyl ether 290.76
    2,5,8-trioxanonane 245.25
    1-hexene 200.65
    2-isopropoxyethanol 192.94
    2,2,2-trifluoroethanol 146.33
    methyl butyrate 207.73

    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

Botanical

Name CAS Botanical Proportion
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 1.62%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.06%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.07%