2-Isopropenylpyridine

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  • Identifiers

    CAS number
    6515-13-5

    Molecular formula
    C8H9N

    SMILES
    CC(=C)C1=CC=CC=N1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 66.3%
    Green 65.66%
    Nutty 50.33%
    Mint 39.61%
    Musty 38.87%
    Earthy 37.82%
    Roasted 37.37%
    Tobacco 33.92%
    Burnt 31.81%
    Woody 31.54%

     

    Flavor
    Nutty 59.35%
    Roasted 38.44%
    Herbal 34.48%
    Green 34.24%
    Hazelnut 31.68%
    Musty 29.62%
    Earthy 27.52%
    Cocoa 26.54%
    Popcorn 25.41%
    Roast 24.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.69 (weak acid)

    Molecular weight
    119.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 51.11 ˚C est.

  • Synonyms

    • 2-Isopropenylpyridine
    • EINECS 229-404-7
    • RefChem:473857
    • 229-404-7
    • 2-(prop-1-en-2-yl)pyridine
    • 6515-13-5
    • 2-(1-Propen-2-yl)pyridine
    • 2-prop-1-en-2-ylpyridine
    • MFCD18384263
    • Pyridine, (1-methylethenyl)-
    • A1EG5
    • SCHEMBL177744
    • SCHEMBL1930639
    • SCHEMBL30736102
    • DTXSID20983720
    • AKOS013991702
    • AS-57578
    • SY225338
    • DB-202004
    • CS-0059949
    • NS00046652
    • EN300-195545
    • W17791
    • F608514
    • F1967-3030
    • Pyridine, 2-(1-methylethenyl)-2-(prop-1-en-2-yl)pyridine
    • 6515-13-5

  • Applications

    2-Isopropenylpyridine (CAS 6515-13-5) is used primarily as a reactive monomer for radical polymerizations to produce pyridine-functional polymers; it may serve as a functional component in coatings and specialty inks, leveraging the pyridine group for metal coordination and adhesion; it can act as an intermediate in the synthesis of pyridine-based compounds and metal-binding ligands for chemical and materials applications; it may be incorporated into adhesive formulations and functional resins to improve bonding and property tuning; it is explored for electronics-related resin systems and dielectric coatings where pyridine functionality provides coordination sites. These applications reflect its role as a monomer and synthesis intermediate in polymer and materials chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 644.29
    methanol 762.23
    isopropanol 469.44
    water 3.06
    ethyl acetate 635.42
    n-propanol 531.9
    acetone 795.85
    n-butanol 532.29
    acetonitrile 629.18
    DMF 764.91
    toluene 453.31
    isobutanol 443.74
    1,4-dioxane 1167.16
    methyl acetate 592.04
    THF 1285.74
    2-butanone 755.75
    n-pentanol 450.88
    sec-butanol 499.0
    n-hexane 228.13
    ethylene glycol 115.06
    NMP 851.47
    cyclohexane 168.09
    DMSO 769.54
    n-butyl acetate 801.8
    n-octanol 321.98
    chloroform 1782.18
    n-propyl acetate 506.73
    acetic acid 453.23
    dichloromethane 1752.59
    cyclohexanone 964.78
    propylene glycol 148.21
    isopropyl acetate 374.53
    DMAc 658.59
    2-ethoxyethanol 494.94
    isopentanol 485.31
    n-heptane 171.57
    ethyl formate 449.19
    1,2-dichloroethane 907.87
    n-hexanol 624.69
    2-methoxyethanol 624.55
    isobutyl acetate 368.68
    tetrachloromethane 441.56
    n-pentyl acetate 381.59
    transcutol 1414.73
    n-heptanol 308.76
    ethylbenzene 252.91
    MIBK 398.62
    2-propoxyethanol 714.72
    tert-butanol 572.14
    MTBE 701.0
    2-butoxyethanol 438.25
    propionic acid 410.12
    o-xylene 273.97
    formic acid 146.47
    diethyl ether 802.91
    m-xylene 301.25
    p-xylene 319.71
    chlorobenzene 557.85
    dimethyl carbonate 224.78
    n-octane 71.61
    formamide 169.91
    cyclopentanone 1020.35
    2-pentanone 633.13
    anisole 466.19
    cyclopentyl methyl ether 729.58
    gamma-butyrolactone 964.62
    1-methoxy-2-propanol 482.26
    pyridine 800.31
    3-pentanone 518.52
    furfural 880.08
    n-dodecane 50.24
    diethylene glycol 409.73
    diisopropyl ether 246.49
    tert-amyl alcohol 567.8
    acetylacetone 516.71
    n-hexadecane 55.17
    acetophenone 383.87
    methyl propionate 467.79
    isopentyl acetate 600.02
    trichloroethylene 1555.63
    n-nonanol 265.56
    cyclohexanol 446.19
    benzyl alcohol 317.4
    2-ethylhexanol 419.22
    isooctanol 257.04
    dipropyl ether 543.84
    1,2-dichlorobenzene 467.31
    ethyl lactate 193.6
    propylene carbonate 586.56
    n-methylformamide 377.38
    2-pentanol 399.58
    n-pentane 173.73
    1-propoxy-2-propanol 544.32
    1-methoxy-2-propyl acetate 458.63
    2-(2-methoxypropoxy) propanol 347.1
    mesitylene 197.86
    ε-caprolactone 750.89
    p-cymene 188.35
    epichlorohydrin 1207.65
    1,1,1-trichloroethane 1011.29
    2-aminoethanol 229.1
    morpholine-4-carbaldehyde 843.07
    sulfolane 1040.08
    2,2,4-trimethylpentane 101.59
    2-methyltetrahydrofuran 1129.46
    n-hexyl acetate 515.14
    isooctane 75.75
    2-(2-butoxyethoxy)ethanol 480.64
    sec-butyl acetate 331.77
    tert-butyl acetate 396.43
    decalin 113.24
    glycerin 201.44
    diglyme 857.13
    acrylic acid 325.44
    isopropyl myristate 211.01
    n-butyric acid 620.61
    acetyl acetate 339.2
    di(2-ethylhexyl) phthalate 174.41
    ethyl propionate 386.76
    nitromethane 677.19
    1,2-diethoxyethane 686.72
    benzonitrile 502.62
    trioctyl phosphate 143.68
    1-bromopropane 739.65
    gamma-valerolactone 1015.37
    n-decanol 201.19
    triethyl phosphate 178.54
    4-methyl-2-pentanol 239.54
    propionitrile 525.29
    vinylene carbonate 536.82
    1,1,2-trichlorotrifluoroethane 574.44
    DMS 320.53
    cumene 198.11
    2-octanol 229.32
    2-hexanone 547.45
    octyl acetate 264.77
    limonene 281.5
    1,2-dimethoxyethane 869.92
    ethyl orthosilicate 188.78
    tributyl phosphate 181.98
    diacetone alcohol 387.25
    N,N-dimethylaniline 318.85
    acrylonitrile 529.62
    aniline 436.41
    1,3-propanediol 348.89
    bromobenzene 635.36
    dibromomethane 1212.68
    1,1,2,2-tetrachloroethane 1120.15
    2-methyl-cyclohexyl acetate 316.02
    tetrabutyl urea 221.52
    diisobutyl methanol 220.74
    2-phenylethanol 379.35
    styrene 321.82
    dioctyl adipate 240.39
    dimethyl sulfate 321.99
    ethyl butyrate 477.16
    methyl lactate 205.49
    butyl lactate 256.58
    diethyl carbonate 269.19
    propanediol butyl ether 350.69
    triethyl orthoformate 277.55
    p-tert-butyltoluene 184.86
    methyl 4-tert-butylbenzoate 308.23
    morpholine 1027.27
    tert-butylamine 435.12
    n-dodecanol 158.28
    dimethoxymethane 590.4
    ethylene carbonate 468.87
    cyrene 303.22
    2-ethoxyethyl acetate 435.56
    2-ethylhexyl acetate 487.1
    1,2,4-trichlorobenzene 514.81
    4-methylpyridine 865.96
    dibutyl ether 484.03
    2,6-dimethyl-4-heptanol 220.74
    DEF 691.92
    dimethyl isosorbide 532.82
    tetrachloroethylene 774.59
    eugenol 319.22
    triacetin 340.77
    span 80 312.22
    1,4-butanediol 187.21
    1,1-dichloroethane 1048.75
    2-methyl-1-pentanol 443.74
    methyl formate 333.8
    2-methyl-1-butanol 503.19
    n-decane 82.06
    butyronitrile 649.9
    3,7-dimethyl-1-octanol 308.47
    1-chlorooctane 289.61
    1-chlorotetradecane 112.58
    n-nonane 93.26
    undecane 61.59
    tert-butylcyclohexane 126.13
    cyclooctane 79.01
    cyclopentanol 475.57
    tetrahydropyran 1074.33
    tert-amyl methyl ether 536.05
    2,5,8-trioxanonane 529.43
    1-hexene 500.78
    2-isopropoxyethanol 394.89
    2,2,2-trifluoroethanol 169.25
    methyl butyrate 550.04

    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