2-Methyl-5-isopropenylpyridine

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  • Identifiers

    CAS number
    56057-93-3

    Molecular formula
    C9H11N

    SMILES
    CC1=NC=C(C=C1)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 71.63%
    Green 59.87%
    Nutty 52.48%
    Mint 44.22%
    Musty 44.09%
    Earthy 40.48%
    Roasted 39.45%
    Tobacco 38.48%
    Woody 36.17%
    Phenolic 34.16%

     

    Flavor
    Nutty 49.05%
    Herbal 34.11%
    Woody 32.74%
    Cocoa 31.53%
    Musty 31.36%
    Roasted 31.13%
    Phenolic 30.96%
    Earthy 27.23%
    Hazelnut 26.5%
    Spicy 25.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.95 (neutral)

    Molecular weight
    133.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 73.51 ˚C est.

  • Synonyms

    • 2-methyl-5-(prop-1-en-2-yl)pyridine
    • 56057-93-3
    • 2-Methyl-5-isopropenylpyridine
    • Pyridine, 2-methyl-5-(1-methylethenyl)-
    • EINECS 259-971-6
    • 4H2V7B3BT7
    • DTXSID8052221
    • 2-PICOLINE, 5-ISOPROPENYL-
    • RefChem:475706
    • DTXCID0030792
    • 5-Isopropenyl-2-methylpyridine
    • 2-methyl-5-prop-1-en-2-ylpyridine
    • UNII-4H2V7B3BT7
    • 2-Methyl-5-(1-propen-2-yl)pyridine
    • SCHEMBL123712
    • 5-isopropenyl-2-methyl pyridine
    • 5-Isopropenyl-2-methylpyridine #
    • MFCD18384428
    • SY352214
    • NS00033451
    • EN300-208325
    • Q27259579
    • 56057-93-3

  • Applications

    2-Methyl-5-isopropenylpyridine (CAS 56057-93-3) is mainly employed as an intermediate in organic synthesis and as a fragrance-related building block. In perfumery and cosmetics, it serves as a raw material or fragrance intermediate, contributing to scent profiles derived from its pyridine core and alkenyl substituent. In the polymers and coatings sector, the isopropenyl group enables radical polymerization or crosslinking, supporting the synthesis of specialty polymers and functional coatings. It is also evaluated as a synthetic intermediate for pyridine-containing compounds in pharmaceuticals and agrochemicals, where it can act as a starting point for more complex molecules. Additionally, it may function as a precursor for catalyst ligands in fine chemical manufacture and as a versatile building block in industrial materials, with applications limited by formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 403.28
    methanol 322.84
    isopropanol 295.38
    water 2.45
    ethyl acetate 327.29
    n-propanol 325.87
    acetone 278.37
    n-butanol 345.11
    acetonitrile 522.36
    DMF 366.51
    toluene 272.14
    isobutanol 222.24
    1,4-dioxane 797.88
    methyl acetate 278.88
    THF 774.88
    2-butanone 300.22
    n-pentanol 201.78
    sec-butanol 279.82
    n-hexane 62.96
    ethylene glycol 58.68
    NMP 256.25
    cyclohexane 143.74
    DMSO 263.31
    n-butyl acetate 275.83
    n-octanol 137.85
    chloroform 1153.18
    n-propyl acetate 146.02
    acetic acid 297.89
    dichloromethane 928.33
    cyclohexanone 416.04
    propylene glycol 112.74
    isopropyl acetate 149.52
    DMAc 314.56
    2-ethoxyethanol 194.72
    isopentanol 221.81
    n-heptane 96.91
    ethyl formate 261.97
    1,2-dichloroethane 359.84
    n-hexanol 329.12
    2-methoxyethanol 367.23
    isobutyl acetate 96.15
    tetrachloromethane 200.83
    n-pentyl acetate 128.27
    transcutol 589.99
    n-heptanol 137.08
    ethylbenzene 107.77
    MIBK 116.55
    2-propoxyethanol 338.1
    tert-butanol 309.71
    MTBE 220.12
    2-butoxyethanol 176.78
    propionic acid 221.15
    o-xylene 139.46
    formic acid 91.11
    diethyl ether 316.66
    m-xylene 141.09
    p-xylene 159.73
    chlorobenzene 278.99
    dimethyl carbonate 97.12
    n-octane 25.97
    formamide 163.88
    cyclopentanone 390.84
    2-pentanone 231.54
    anisole 192.76
    cyclopentyl methyl ether 302.51
    gamma-butyrolactone 380.97
    1-methoxy-2-propanol 270.27
    pyridine 679.22
    3-pentanone 185.61
    furfural 381.47
    n-dodecane 20.45
    diethylene glycol 187.27
    diisopropyl ether 78.48
    tert-amyl alcohol 249.2
    acetylacetone 185.91
    n-hexadecane 22.82
    acetophenone 146.12
    methyl propionate 220.09
    isopentyl acetate 208.39
    trichloroethylene 686.82
    n-nonanol 121.21
    cyclohexanol 275.45
    benzyl alcohol 159.51
    2-ethylhexanol 198.2
    isooctanol 93.33
    dipropyl ether 265.79
    1,2-dichlorobenzene 210.04
    ethyl lactate 76.2
    propylene carbonate 261.34
    n-methylformamide 217.4
    2-pentanol 194.72
    n-pentane 72.45
    1-propoxy-2-propanol 256.38
    1-methoxy-2-propyl acetate 207.76
    2-(2-methoxypropoxy) propanol 169.84
    mesitylene 75.29
    ε-caprolactone 312.88
    p-cymene 93.38
    epichlorohydrin 449.07
    1,1,1-trichloroethane 418.73
    2-aminoethanol 165.27
    morpholine-4-carbaldehyde 334.84
    sulfolane 257.17
    2,2,4-trimethylpentane 28.03
    2-methyltetrahydrofuran 534.37
    n-hexyl acetate 189.78
    isooctane 19.22
    2-(2-butoxyethoxy)ethanol 228.05
    sec-butyl acetate 98.2
    tert-butyl acetate 134.17
    decalin 42.15
    glycerin 116.94
    diglyme 395.51
    acrylic acid 169.88
    isopropyl myristate 81.15
    n-butyric acid 362.39
    acetyl acetate 181.92
    di(2-ethylhexyl) phthalate 86.03
    ethyl propionate 140.81
    nitromethane 389.64
    1,2-diethoxyethane 268.63
    benzonitrile 266.33
    trioctyl phosphate 57.34
    1-bromopropane 287.89
    gamma-valerolactone 409.02
    n-decanol 89.73
    triethyl phosphate 89.82
    4-methyl-2-pentanol 97.62
    propionitrile 385.03
    vinylene carbonate 272.0
    1,1,2-trichlorotrifluoroethane 271.39
    DMS 122.7
    cumene 73.56
    2-octanol 88.21
    2-hexanone 154.12
    octyl acetate 108.99
    limonene 140.15
    1,2-dimethoxyethane 387.76
    ethyl orthosilicate 93.12
    tributyl phosphate 72.77
    diacetone alcohol 147.86
    N,N-dimethylaniline 133.7
    acrylonitrile 364.6
    aniline 295.0
    1,3-propanediol 219.43
    bromobenzene 296.13
    dibromomethane 619.49
    1,1,2,2-tetrachloroethane 532.84
    2-methyl-cyclohexyl acetate 144.71
    tetrabutyl urea 93.92
    diisobutyl methanol 97.72
    2-phenylethanol 193.54
    styrene 147.42
    dioctyl adipate 114.92
    dimethyl sulfate 101.2
    ethyl butyrate 196.37
    methyl lactate 97.97
    butyl lactate 92.97
    diethyl carbonate 141.23
    propanediol butyl ether 130.51
    triethyl orthoformate 143.28
    p-tert-butyltoluene 89.81
    methyl 4-tert-butylbenzoate 136.92
    morpholine 830.33
    tert-butylamine 226.73
    n-dodecanol 72.86
    dimethoxymethane 257.43
    ethylene carbonate 238.46
    cyrene 128.27
    2-ethoxyethyl acetate 159.62
    2-ethylhexyl acetate 182.46
    1,2,4-trichlorobenzene 239.56
    4-methylpyridine 504.02
    dibutyl ether 181.84
    2,6-dimethyl-4-heptanol 97.72
    DEF 235.21
    dimethyl isosorbide 262.91
    tetrachloroethylene 343.33
    eugenol 137.56
    triacetin 146.09
    span 80 165.6
    1,4-butanediol 79.32
    1,1-dichloroethane 440.78
    2-methyl-1-pentanol 164.94
    methyl formate 159.06
    2-methyl-1-butanol 218.27
    n-decane 34.01
    butyronitrile 415.04
    3,7-dimethyl-1-octanol 119.59
    1-chlorooctane 98.48
    1-chlorotetradecane 43.14
    n-nonane 34.27
    undecane 25.3
    tert-butylcyclohexane 36.74
    cyclooctane 39.68
    cyclopentanol 255.16
    tetrahydropyran 697.15
    tert-amyl methyl ether 158.98
    2,5,8-trioxanonane 290.41
    1-hexene 173.95
    2-isopropoxyethanol 124.21
    2,2,2-trifluoroethanol 89.82
    methyl butyrate 179.36

    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