Pyrazine, 2-chloro-3-ethyl-

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  • Identifiers

    CAS number
    63450-95-3

    Molecular formula
    C6H7ClN2

    SMILES
    CCC1=NC=CN=C1Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 83.99%
    Roasted 75.81%
    Earthy 62.76%
    Cocoa 61.6%
    Hazelnut 59.5%
    Musty 57.98%
    Potato 54.62%
    Coffee 48.9%
    Burnt 47.65%
    Chocolate 46.83%

     

    Flavor
    Nutty 64.12%
    Roasted 53.27%
    Roast 43.87%
    Hazelnut 41.69%
    Coffee 41.41%
    Musty 40.74%
    Potato 40.71%
    Cocoa 40.26%
    Earthy 39.23%
    Meaty 38.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    3.97 (weak acid)

    Molecular weight
    142.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 82.56 ˚C est.

  • Synonyms

    • 2-chloro-3-ethylpyrazine
    • 63450-95-3
    • Pyrazine, 2-chloro-3-ethyl-
    • DTXSID9069845
    • RefChem:870431
    • DTXCID3043867
    • 891-221-9
    • MFCD00055029
    • 3-ethyl-2-chloropyrazine
    • 2-chloro-3-ethyl-pyrazine
    • SCHEMBL5419514
    • SCHEMBL23212103
    • SCHEMBL23457284
    • AKOS006271824
    • AC-16361
    • DS-14600
    • SY111640
    • CS-0061448
    • EN300-312329
    • 450C953
    • Z1198149374
    • 63450-95-3

  • Applications

    Pyrazine, 2-chloro-3-ethyl-, CAS 63450-95-3, may be used as a synthetic building block in organic chemistry: as an intermediate to access heteroaromatic compounds for pharmaceutical and agrochemical research; may serve as a fragrance intermediate or odorant precursor for perfumery and flavor applications; may be used as a building block in coatings, inks, and colorants; may act as a functional monomer or crosslinkable unit in polymers and specialty materials; and may serve as a starting point for electronic and optoelectronic materials in advanced materials development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.68
    methanol 259.0
    isopropanol 145.28
    water 5.03
    ethyl acetate 547.9
    n-propanol 175.25
    acetone 855.29
    n-butanol 164.04
    acetonitrile 662.87
    DMF 1101.58
    toluene 297.12
    isobutanol 143.47
    1,4-dioxane 785.14
    methyl acetate 480.7
    THF 876.04
    2-butanone 537.2
    n-pentanol 168.09
    sec-butanol 148.01
    n-hexane 52.48
    ethylene glycol 91.46
    NMP 1269.47
    cyclohexane 69.65
    DMSO 1371.21
    n-butyl acetate 459.39
    n-octanol 103.32
    chloroform 1306.81
    n-propyl acetate 423.65
    acetic acid 506.4
    dichloromethane 1668.68
    cyclohexanone 895.83
    propylene glycol 70.41
    isopropyl acetate 300.81
    DMAc 775.19
    2-ethoxyethanol 347.97
    isopentanol 150.17
    n-heptane 43.56
    ethyl formate 476.2
    1,2-dichloroethane 1122.57
    n-hexanol 159.47
    2-methoxyethanol 432.13
    isobutyl acetate 238.12
    tetrachloromethane 331.74
    n-pentyl acetate 298.51
    transcutol 741.06
    n-heptanol 101.66
    ethylbenzene 180.75
    MIBK 242.41
    2-propoxyethanol 334.93
    tert-butanol 184.25
    MTBE 246.05
    2-butoxyethanol 221.71
    propionic acid 287.08
    o-xylene 210.63
    formic acid 212.04
    diethyl ether 330.99
    m-xylene 210.94
    p-xylene 275.43
    chlorobenzene 623.46
    dimethyl carbonate 280.77
    n-octane 23.33
    formamide 331.95
    cyclopentanone 1068.29
    2-pentanone 450.34
    anisole 381.92
    cyclopentyl methyl ether 446.71
    gamma-butyrolactone 1296.36
    1-methoxy-2-propanol 292.04
    pyridine 882.65
    3-pentanone 410.01
    furfural 1304.06
    n-dodecane 18.79
    diethylene glycol 290.45
    diisopropyl ether 119.9
    tert-amyl alcohol 172.56
    acetylacetone 684.92
    n-hexadecane 22.28
    acetophenone 422.14
    methyl propionate 444.52
    isopentyl acetate 345.24
    trichloroethylene 2097.63
    n-nonanol 93.0
    cyclohexanol 206.12
    benzyl alcohol 269.19
    2-ethylhexanol 137.78
    isooctanol 92.78
    dipropyl ether 223.86
    1,2-dichlorobenzene 662.06
    ethyl lactate 166.34
    propylene carbonate 668.51
    n-methylformamide 546.1
    2-pentanol 123.16
    n-pentane 43.62
    1-propoxy-2-propanol 249.94
    1-methoxy-2-propyl acetate 344.47
    2-(2-methoxypropoxy) propanol 201.25
    mesitylene 149.44
    ε-caprolactone 757.02
    p-cymene 132.15
    epichlorohydrin 1219.05
    1,1,1-trichloroethane 954.49
    2-aminoethanol 122.34
    morpholine-4-carbaldehyde 1028.76
    sulfolane 1673.5
    2,2,4-trimethylpentane 33.37
    2-methyltetrahydrofuran 654.21
    n-hexyl acetate 321.7
    isooctane 25.04
    2-(2-butoxyethoxy)ethanol 265.3
    sec-butyl acetate 240.73
    tert-butyl acetate 298.7
    decalin 52.94
    glycerin 127.74
    diglyme 619.11
    acrylic acid 331.51
    isopropyl myristate 126.88
    n-butyric acid 372.67
    acetyl acetate 411.47
    di(2-ethylhexyl) phthalate 134.83
    ethyl propionate 349.37
    nitromethane 1323.32
    1,2-diethoxyethane 416.49
    benzonitrile 580.64
    trioctyl phosphate 102.77
    1-bromopropane 466.02
    gamma-valerolactone 1296.91
    n-decanol 75.23
    triethyl phosphate 185.22
    4-methyl-2-pentanol 83.78
    propionitrile 402.14
    vinylene carbonate 734.03
    1,1,2-trichlorotrifluoroethane 734.84
    DMS 349.32
    cumene 129.47
    2-octanol 89.32
    2-hexanone 372.05
    octyl acetate 158.63
    limonene 165.65
    1,2-dimethoxyethane 701.78
    ethyl orthosilicate 169.91
    tributyl phosphate 142.67
    diacetone alcohol 270.23
    N,N-dimethylaniline 270.59
    acrylonitrile 642.24
    aniline 313.22
    1,3-propanediol 176.79
    bromobenzene 755.82
    dibromomethane 1031.69
    1,1,2,2-tetrachloroethane 1325.73
    2-methyl-cyclohexyl acetate 230.22
    tetrabutyl urea 187.15
    diisobutyl methanol 91.58
    2-phenylethanol 250.3
    styrene 258.9
    dioctyl adipate 185.53
    dimethyl sulfate 564.35
    ethyl butyrate 341.78
    methyl lactate 194.76
    butyl lactate 195.05
    diethyl carbonate 264.23
    propanediol butyl ether 184.49
    triethyl orthoformate 228.37
    p-tert-butyltoluene 123.27
    methyl 4-tert-butylbenzoate 258.99
    morpholine 685.25
    tert-butylamine 129.2
    n-dodecanol 62.24
    dimethoxymethane 581.16
    ethylene carbonate 579.84
    cyrene 266.13
    2-ethoxyethyl acetate 401.91
    2-ethylhexyl acetate 302.5
    1,2,4-trichlorobenzene 720.61
    4-methylpyridine 843.66
    dibutyl ether 180.17
    2,6-dimethyl-4-heptanol 91.58
    DEF 612.76
    dimethyl isosorbide 457.21
    tetrachloroethylene 972.22
    eugenol 267.19
    triacetin 302.69
    span 80 184.01
    1,4-butanediol 122.66
    1,1-dichloroethane 845.23
    2-methyl-1-pentanol 160.38
    methyl formate 583.54
    2-methyl-1-butanol 154.68
    n-decane 27.4
    butyronitrile 423.47
    3,7-dimethyl-1-octanol 104.31
    1-chlorooctane 110.21
    1-chlorotetradecane 52.44
    n-nonane 27.73
    undecane 22.07
    tert-butylcyclohexane 47.94
    cyclooctane 30.15
    cyclopentanol 261.72
    tetrahydropyran 578.18
    tert-amyl methyl ether 212.09
    2,5,8-trioxanonane 384.86
    1-hexene 147.84
    2-isopropoxyethanol 243.1
    2,2,2-trifluoroethanol 250.79
    methyl butyrate 476.62

    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