2,5-Distyrylpyrazine

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  • Identifiers

    CAS number
    14990-02-4

    Molecular formula
    C20H16N2

    SMILES
    C1=CC=C(C=C1)/C=C/C2=CN=C(C=N2)/C=C/C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Spicy 47.71%
    Floral 35.88%
    Balsamic 35.69%
    Fruity 33.54%
    Sweet 28.37%
    Cinnamon 28.33%
    Nutty 25.15%
    Warm 24.21%
    Herbal 23.85%
    Burnt 23.6%

     

    Flavor
    Bitter 47.6%
    Balsam 29.4%
    Nitrile 23.98%
    Honey 22.36%
    Oriental 21.26%
    Naphthelene 21.16%
    Moth ball 20.96%
    Red hots 20.95%
    Chocolate 20.88%
    Very strong 20.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    4.38 (weak acid)

    Molecular weight
    284.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    863°C

    Flash point

    • 227.78 ˚C est.

  • Synonyms

    • 2,5-DISTYRYLPYRAZINE
    • 2,5-bis[(E)-2-phenylethenyl]pyrazine
    • 14990-02-4
    • SCHEMBL5053974
    • 14990-02-4

  • Applications

    2,5-Distyrylpyrazine is a pyrazine derivative bearing two styryl groups that extend the pi-conjugation and is commonly used as a synthetic building block for pi-conjugated polymers and oligomers intended for electronic and photonic applications. In practice, it is used as a dye for paints, coatings, and inks; a building block for organic semiconductor materials used in OLEDs and OPVs; and it is researched and applied as a fluorescent material for optical sensing and related photonic applications. Additionally, it serves as a platform for developing polymeric materials and optical-sensing systems in research and manufacturing contexts, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.15
    methanol 5.01
    isopropanol 2.57
    water 0.02
    ethyl acetate 29.58
    n-propanol 5.11
    acetone 22.38
    n-butanol 5.01
    acetonitrile 10.78
    DMF 34.67
    toluene 79.58
    isobutanol 3.66
    1,4-dioxane 47.95
    methyl acetate 24.3
    THF 189.24
    2-butanone 35.37
    n-pentanol 6.04
    sec-butanol 4.68
    n-hexane 1.52
    ethylene glycol 1.78
    NMP 31.13
    cyclohexane 2.12
    DMSO 71.49
    n-butyl acetate 16.66
    n-octanol 2.2
    chloroform 152.32
    n-propyl acetate 17.2
    acetic acid 11.78
    dichloromethane 266.14
    cyclohexanone 36.8
    propylene glycol 4.12
    isopropyl acetate 19.11
    DMAc 75.79
    2-ethoxyethanol 17.8
    isopentanol 5.31
    n-heptane 2.5
    ethyl formate 15.41
    1,2-dichloroethane 169.07
    n-hexanol 5.22
    2-methoxyethanol 20.26
    isobutyl acetate 12.58
    tetrachloromethane 7.99
    n-pentyl acetate 9.69
    transcutol 106.28
    n-heptanol 3.0
    ethylbenzene 21.82
    MIBK 17.84
    2-propoxyethanol 17.22
    tert-butanol 3.79
    MTBE 10.93
    2-butoxyethanol 9.45
    propionic acid 9.71
    o-xylene 23.0
    formic acid 4.61
    diethyl ether 19.61
    m-xylene 26.15
    p-xylene 18.93
    chlorobenzene 50.51
    dimethyl carbonate 25.8
    n-octane 0.87
    formamide 12.34
    cyclopentanone 82.15
    2-pentanone 24.7
    anisole 44.25
    cyclopentyl methyl ether 40.74
    gamma-butyrolactone 88.06
    1-methoxy-2-propanol 17.27
    pyridine 117.02
    3-pentanone 29.56
    furfural 79.79
    n-dodecane 0.64
    diethylene glycol 12.52
    diisopropyl ether 6.76
    tert-amyl alcohol 5.53
    acetylacetone 51.18
    n-hexadecane 0.76
    acetophenone 35.15
    methyl propionate 29.73
    isopentyl acetate 18.02
    trichloroethylene 302.08
    n-nonanol 2.96
    cyclohexanol 6.78
    benzyl alcohol 22.76
    2-ethylhexanol 6.32
    isooctanol 3.36
    dipropyl ether 20.23
    1,2-dichlorobenzene 48.38
    ethyl lactate 11.13
    propylene carbonate 35.69
    n-methylformamide 14.45
    2-pentanol 4.25
    n-pentane 1.1
    1-propoxy-2-propanol 14.26
    1-methoxy-2-propyl acetate 31.65
    2-(2-methoxypropoxy) propanol 23.47
    mesitylene 11.98
    ε-caprolactone 31.83
    p-cymene 10.66
    epichlorohydrin 200.61
    1,1,1-trichloroethane 53.69
    2-aminoethanol 3.92
    morpholine-4-carbaldehyde 41.48
    sulfolane 84.2
    2,2,4-trimethylpentane 1.59
    2-methyltetrahydrofuran 45.79
    n-hexyl acetate 10.17
    isooctane 0.92
    2-(2-butoxyethoxy)ethanol 24.52
    sec-butyl acetate 14.99
    tert-butyl acetate 20.88
    decalin 3.2
    glycerin 7.91
    diglyme 66.04
    acrylic acid 12.26
    isopropyl myristate 7.39
    n-butyric acid 14.6
    acetyl acetate 24.92
    di(2-ethylhexyl) phthalate 9.25
    ethyl propionate 20.77
    nitromethane 37.84
    1,2-diethoxyethane 39.39
    benzonitrile 22.65
    trioctyl phosphate 4.23
    1-bromopropane 48.87
    gamma-valerolactone 75.13
    n-decanol 2.52
    triethyl phosphate 15.02
    4-methyl-2-pentanol 4.13
    propionitrile 12.15
    vinylene carbonate 34.57
    1,1,2-trichlorotrifluoroethane 66.84
    DMS 22.8
    cumene 12.13
    2-octanol 1.92
    2-hexanone 18.23
    octyl acetate 7.26
    limonene 12.17
    1,2-dimethoxyethane 48.37
    ethyl orthosilicate 15.19
    tributyl phosphate 6.62
    diacetone alcohol 18.96
    N,N-dimethylaniline 26.5
    acrylonitrile 19.9
    aniline 36.25
    1,3-propanediol 5.63
    bromobenzene 71.25
    dibromomethane 125.01
    1,1,2,2-tetrachloroethane 179.74
    2-methyl-cyclohexyl acetate 18.14
    tetrabutyl urea 8.92
    diisobutyl methanol 6.24
    2-phenylethanol 16.74
    styrene 28.24
    dioctyl adipate 15.66
    dimethyl sulfate 41.87
    ethyl butyrate 21.17
    methyl lactate 14.63
    butyl lactate 8.87
    diethyl carbonate 16.74
    propanediol butyl ether 7.7
    triethyl orthoformate 19.65
    p-tert-butyltoluene 10.05
    methyl 4-tert-butylbenzoate 23.69
    morpholine 44.73
    tert-butylamine 2.59
    n-dodecanol 2.23
    dimethoxymethane 51.04
    ethylene carbonate 24.17
    cyrene 24.52
    2-ethoxyethyl acetate 23.7
    2-ethylhexyl acetate 15.76
    1,2,4-trichlorobenzene 59.12
    4-methylpyridine 60.18
    dibutyl ether 10.7
    2,6-dimethyl-4-heptanol 6.24
    DEF 26.54
    dimethyl isosorbide 59.3
    tetrachloroethylene 90.41
    eugenol 19.5
    triacetin 22.26
    span 80 13.65
    1,4-butanediol 2.99
    1,1-dichloroethane 52.61
    2-methyl-1-pentanol 7.71
    methyl formate 16.46
    2-methyl-1-butanol 5.8
    n-decane 0.97
    butyronitrile 10.64
    3,7-dimethyl-1-octanol 4.68
    1-chlorooctane 4.09
    1-chlorotetradecane 2.26
    n-nonane 0.82
    undecane 0.77
    tert-butylcyclohexane 2.56
    cyclooctane 1.34
    cyclopentanol 8.02
    tetrahydropyran 40.91
    tert-amyl methyl ether 13.65
    2,5,8-trioxanonane 50.11
    1-hexene 6.58
    2-isopropoxyethanol 13.33
    2,2,2-trifluoroethanol 5.54
    methyl butyrate 23.13

    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