2,3-Dimethyl-5-isopropylpyrazine

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  • Identifiers

    CAS number
    40790-21-4

    Molecular formula
    C9H14N2

    SMILES
    CC1=NC=C(N=C1C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 73.27%
    Roasted 67.25%
    Earthy 64.85%
    Cocoa 55.41%
    Green 54.73%
    Burnt 52.42%
    Musty 50.7%
    Hazelnut 49.14%
    Coffee 48.66%
    Potato 48.58%

     

    Flavor
    Earthy 54.57%
    Nutty 50.9%
    Musty 46.46%
    Roasted 46.07%
    Hazelnut 44.31%
    Earth 40.99%
    Potato 40.46%
    Cocoa 40.3%
    Burnt 38.2%
    Green 36.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.06 (weak acid)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 78.53 ˚C est.

  • Synonyms

    • 40790-21-4
    • 2,3-dimethyl-5-isopropylpyrazine
    • DTXSID50335950
    • RefChem:245038
    • DTXCID80287039
    • JTIYGJBEUZEJAB-UHFFFAOYSA-N
    • 5-isopropyl-2,3-dimethylpyrazine
    • 2,3-dimethyl-5-propan-2-ylpyrazine
    • 2,3-dimethyl-5-(propan-2-yl)pyrazine
    • CHEMBL95042
    • SCHEMBL6129987
    • SCHEMBL30585581
    • 5-Isopropyl-2,3-dimethyl-pyrazine
    • MFCD06200808
    • AKOS006294965
    • DB-049656
    • Pyrazine, 2,3-dimethyl-5-(1-methylethyl)
    • 40790-21-4

  • Applications

    2,3-Dimethyl-5-isopropylpyrazine (CAS 40790-21-4) is primarily used in the fragrance and flavor sectors as an odorant/fragrance ingredient, providing roasted and nutty notes in perfume formulations and food flavorings; in cosmetics and personal care, it is regarded as a fragrance ingredient to impart scent in products such as creams and other personal care items; in cleaning and household products, it may be added to improve the overall fragrance profile; additionally, it can serve as an intermediate or precursor in the synthesis of other fragrance compounds for industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 289.49
    methanol 220.85
    isopropanol 265.11
    water 2.24
    ethyl acetate 275.31
    n-propanol 303.94
    acetone 387.26
    n-butanol 266.91
    acetonitrile 309.26
    DMF 463.65
    toluene 330.59
    isobutanol 279.69
    1,4-dioxane 515.67
    methyl acetate 329.66
    THF 768.47
    2-butanone 410.35
    n-pentanol 212.11
    sec-butanol 312.42
    n-hexane 125.06
    ethylene glycol 51.29
    NMP 559.16
    cyclohexane 186.59
    DMSO 318.0
    n-butyl acetate 440.03
    n-octanol 234.83
    chloroform 1824.75
    n-propyl acetate 237.65
    acetic acid 241.64
    dichloromethane 1459.55
    cyclohexanone 675.82
    propylene glycol 95.5
    isopropyl acetate 189.3
    DMAc 466.98
    2-ethoxyethanol 189.87
    isopentanol 240.03
    n-heptane 119.01
    ethyl formate 311.57
    1,2-dichloroethane 636.52
    n-hexanol 328.68
    2-methoxyethanol 291.46
    isobutyl acetate 183.16
    tetrachloromethane 449.34
    n-pentyl acetate 262.32
    transcutol 374.17
    n-heptanol 215.75
    ethylbenzene 241.39
    MIBK 192.81
    2-propoxyethanol 287.26
    tert-butanol 290.87
    MTBE 318.73
    2-butoxyethanol 239.96
    propionic acid 258.76
    o-xylene 257.31
    formic acid 66.1
    diethyl ether 266.85
    m-xylene 224.83
    p-xylene 387.0
    chlorobenzene 481.22
    dimethyl carbonate 121.87
    n-octane 65.49
    formamide 97.25
    cyclopentanone 705.39
    2-pentanone 277.75
    anisole 269.59
    cyclopentyl methyl ether 373.29
    gamma-butyrolactone 732.52
    1-methoxy-2-propanol 229.32
    pyridine 616.51
    3-pentanone 271.07
    furfural 689.6
    n-dodecane 54.25
    diethylene glycol 151.32
    diisopropyl ether 115.67
    tert-amyl alcohol 314.71
    acetylacetone 272.91
    n-hexadecane 61.23
    acetophenone 276.6
    methyl propionate 251.27
    isopentyl acetate 375.02
    trichloroethylene 1298.72
    n-nonanol 191.35
    cyclohexanol 334.1
    benzyl alcohol 240.18
    2-ethylhexanol 255.31
    isooctanol 173.8
    dipropyl ether 252.01
    1,2-dichlorobenzene 462.97
    ethyl lactate 121.16
    propylene carbonate 514.13
    n-methylformamide 230.39
    2-pentanol 202.82
    n-pentane 100.64
    1-propoxy-2-propanol 259.01
    1-methoxy-2-propyl acetate 254.34
    2-(2-methoxypropoxy) propanol 191.63
    mesitylene 162.28
    ε-caprolactone 514.68
    p-cymene 214.36
    epichlorohydrin 706.47
    1,1,1-trichloroethane 857.42
    2-aminoethanol 115.76
    morpholine-4-carbaldehyde 451.71
    sulfolane 694.74
    2,2,4-trimethylpentane 73.93
    2-methyltetrahydrofuran 621.69
    n-hexyl acetate 352.83
    isooctane 43.83
    2-(2-butoxyethoxy)ethanol 226.65
    sec-butyl acetate 164.6
    tert-butyl acetate 197.71
    decalin 97.71
    glycerin 98.04
    diglyme 384.91
    acrylic acid 220.12
    isopropyl myristate 152.53
    n-butyric acid 342.37
    acetyl acetate 204.61
    di(2-ethylhexyl) phthalate 157.48
    ethyl propionate 198.28
    nitromethane 355.05
    1,2-diethoxyethane 247.62
    benzonitrile 406.83
    trioctyl phosphate 122.57
    1-bromopropane 491.73
    gamma-valerolactone 700.96
    n-decanol 145.37
    triethyl phosphate 152.0
    4-methyl-2-pentanol 127.08
    propionitrile 315.05
    vinylene carbonate 505.77
    1,1,2-trichlorotrifluoroethane 424.45
    DMS 237.98
    cumene 188.85
    2-octanol 182.32
    2-hexanone 276.92
    octyl acetate 194.19
    limonene 265.72
    1,2-dimethoxyethane 379.37
    ethyl orthosilicate 146.89
    tributyl phosphate 138.67
    diacetone alcohol 197.35
    N,N-dimethylaniline 230.89
    acrylonitrile 359.03
    aniline 299.64
    1,3-propanediol 177.49
    bromobenzene 554.19
    dibromomethane 1065.54
    1,1,2,2-tetrachloroethane 1060.28
    2-methyl-cyclohexyl acetate 247.97
    tetrabutyl urea 170.44
    diisobutyl methanol 140.97
    2-phenylethanol 290.77
    styrene 261.28
    dioctyl adipate 204.2
    dimethyl sulfate 188.82
    ethyl butyrate 284.4
    methyl lactate 126.08
    butyl lactate 188.96
    diethyl carbonate 210.49
    propanediol butyl ether 203.11
    triethyl orthoformate 197.36
    p-tert-butyltoluene 193.34
    methyl 4-tert-butylbenzoate 261.5
    morpholine 474.41
    tert-butylamine 234.37
    n-dodecanol 118.01
    dimethoxymethane 260.01
    ethylene carbonate 401.49
    cyrene 210.96
    2-ethoxyethyl acetate 257.68
    2-ethylhexyl acetate 325.39
    1,2,4-trichlorobenzene 530.56
    4-methylpyridine 611.48
    dibutyl ether 263.6
    2,6-dimethyl-4-heptanol 140.97
    DEF 338.67
    dimethyl isosorbide 354.38
    tetrachloroethylene 736.92
    eugenol 227.37
    triacetin 237.61
    span 80 209.38
    1,4-butanediol 89.71
    1,1-dichloroethane 777.38
    2-methyl-1-pentanol 217.43
    methyl formate 236.7
    2-methyl-1-butanol 270.73
    n-decane 84.8
    butyronitrile 360.23
    3,7-dimethyl-1-octanol 196.84
    1-chlorooctane 228.97
    1-chlorotetradecane 100.4
    n-nonane 86.9
    undecane 65.39
    tert-butylcyclohexane 96.03
    cyclooctane 68.18
    cyclopentanol 395.23
    tetrahydropyran 547.88
    tert-amyl methyl ether 259.98
    2,5,8-trioxanonane 270.42
    1-hexene 276.93
    2-isopropoxyethanol 158.52
    2,2,2-trifluoroethanol 119.03
    methyl butyrate 299.93

    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