2-Methyl-5-phenylpyridine

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  • Identifiers

    CAS number
    3256-88-0

    Molecular formula
    C12H11N

    SMILES
    CC1=NC=C(C=C1)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Herbal 65.9%
    Green 63.44%
    Animal 60.82%
    Floral 52.61%
    Sweet 52.53%
    Tobacco 50.58%
    Earthy 50.23%
    Leathery 44.81%
    Oily 41.56%
    Fishy 39.81%

     

    Flavor
    Sweet 38.98%
    Phenolic 32.86%
    Nutty 32.53%
    Floral 32.19%
    Tobacco 30.92%
    Herbal 30.3%
    Bitter 29.65%
    Green 29.26%
    Fecal 28.82%
    Earthy 28.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.72 (weak acid)

    Molecular weight
    169.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    288°C

    Flash point

    • 126.7 ˚C est.

  • Synonyms

    • 2-Methyl-5-phenylpyridine
    • 2-Picoline, 5-phenyl-
    • Pyridine, 2-methyl-5-phenyl-
    • EINECS 221-854-2
    • DTXSID4062937
    • RefChem:88188
    • DTXCID7038529
    • 221-854-2
    • JXNAIOCJWBJGFQ-UHFFFAOYSA-N
    • 3256-88-0
    • 2-Methyl-5-phenyl-pyridine
    • 5-Phenyl-2-picoline
    • MFCD00129776
    • 5-phenyl-2-methylpyridine
    • 3-Phenyl-6-methylpyridine
    • 3-phenyl-6-methyl pyridine
    • 2-methyl-5-(phenyl)pyridine
    • SCHEMBL456032
    • SCHEMBL538283
    • SCHEMBL715027
    • SCHEMBL715028
    • SCHEMBL7945429
    • SCHEMBL9251718
    • AKOS006274914
    • DB-081300
    • CS-0195666
    • NS00029295
    • E89404
    • 256M880
    • Q63409211
    • 3256-88-0

  • Applications

    2-Methyl-5-phenylpyridine (CAS 3256-88-0) is commonly used as an intermediate and building block in chemical synthesis, enabling the construction of substituted pyridine frameworks for pharmaceutical and agrochemical compounds; it also serves as a precursor for diverse heterocyclic products in R&D, can function as a ligand or catalyst precursor in homogeneous catalytic systems for industrial manufacturing, and may be employed as a precursor for materials used in organic electronics and dye chemistry, as well as a component in specialty polymers and coatings formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 213.51
    methanol 195.76
    isopropanol 88.68
    water 0.28
    ethyl acetate 524.05
    n-propanol 176.3
    acetone 276.39
    n-butanol 140.51
    acetonitrile 311.23
    DMF 404.81
    toluene 401.61
    isobutanol 96.43
    1,4-dioxane 927.63
    methyl acetate 345.29
    THF 585.51
    2-butanone 329.84
    n-pentanol 107.18
    sec-butanol 92.01
    n-hexane 25.76
    ethylene glycol 60.2
    NMP 205.95
    cyclohexane 54.53
    DMSO 436.61
    n-butyl acetate 249.8
    n-octanol 38.22
    chloroform 1063.97
    n-propyl acetate 167.97
    acetic acid 162.12
    dichloromethane 1070.31
    cyclohexanone 375.34
    propylene glycol 78.45
    isopropyl acetate 178.0
    DMAc 425.31
    2-ethoxyethanol 197.36
    isopentanol 102.68
    n-heptane 29.03
    ethyl formate 202.3
    1,2-dichloroethane 853.01
    n-hexanol 141.04
    2-methoxyethanol 320.23
    isobutyl acetate 119.07
    tetrachloromethane 87.37
    n-pentyl acetate 78.79
    transcutol 933.76
    n-heptanol 44.6
    ethylbenzene 117.54
    MIBK 116.66
    2-propoxyethanol 257.48
    tert-butanol 104.53
    MTBE 157.45
    2-butoxyethanol 92.94
    propionic acid 155.24
    o-xylene 127.67
    formic acid 50.35
    diethyl ether 486.31
    m-xylene 140.48
    p-xylene 115.92
    chlorobenzene 323.43
    dimethyl carbonate 170.34
    n-octane 8.75
    formamide 115.23
    cyclopentanone 371.85
    2-pentanone 241.97
    anisole 251.74
    cyclopentyl methyl ether 246.09
    gamma-butyrolactone 424.43
    1-methoxy-2-propanol 203.47
    pyridine 897.31
    3-pentanone 279.21
    furfural 405.5
    n-dodecane 7.34
    diethylene glycol 182.05
    diisopropyl ether 74.07
    tert-amyl alcohol 92.75
    acetylacetone 293.46
    n-hexadecane 8.57
    acetophenone 169.81
    methyl propionate 361.96
    isopentyl acetate 197.53
    trichloroethylene 1223.51
    n-nonanol 40.01
    cyclohexanol 110.57
    benzyl alcohol 154.76
    2-ethylhexanol 93.33
    isooctanol 40.07
    dipropyl ether 214.35
    1,2-dichlorobenzene 218.79
    ethyl lactate 69.95
    propylene carbonate 240.49
    n-methylformamide 185.57
    2-pentanol 77.23
    n-pentane 20.97
    1-propoxy-2-propanol 163.54
    1-methoxy-2-propyl acetate 239.7
    2-(2-methoxypropoxy) propanol 128.22
    mesitylene 68.08
    ε-caprolactone 290.55
    p-cymene 59.9
    epichlorohydrin 704.15
    1,1,1-trichloroethane 384.17
    2-aminoethanol 111.06
    morpholine-4-carbaldehyde 384.94
    sulfolane 362.27
    2,2,4-trimethylpentane 12.42
    2-methyltetrahydrofuran 368.33
    n-hexyl acetate 104.58
    isooctane 9.15
    2-(2-butoxyethoxy)ethanol 188.79
    sec-butyl acetate 117.73
    tert-butyl acetate 145.13
    decalin 29.26
    glycerin 108.69
    diglyme 436.18
    acrylic acid 146.51
    isopropyl myristate 55.79
    n-butyric acid 203.72
    acetyl acetate 243.74
    di(2-ethylhexyl) phthalate 58.24
    ethyl propionate 174.23
    nitromethane 350.13
    1,2-diethoxyethane 366.22
    benzonitrile 191.64
    trioctyl phosphate 33.75
    1-bromopropane 361.53
    gamma-valerolactone 430.95
    n-decanol 33.44
    triethyl phosphate 77.52
    4-methyl-2-pentanol 46.65
    propionitrile 270.93
    vinylene carbonate 246.4
    1,1,2-trichlorotrifluoroethane 323.78
    DMS 160.76
    cumene 66.49
    2-octanol 27.24
    2-hexanone 153.31
    octyl acetate 64.12
    limonene 83.5
    1,2-dimethoxyethane 392.59
    ethyl orthosilicate 78.07
    tributyl phosphate 48.65
    diacetone alcohol 133.15
    N,N-dimethylaniline 133.87
    acrylonitrile 327.33
    aniline 285.57
    1,3-propanediol 123.73
    bromobenzene 385.72
    dibromomethane 685.74
    1,1,2,2-tetrachloroethane 862.32
    2-methyl-cyclohexyl acetate 117.0
    tetrabutyl urea 60.98
    diisobutyl methanol 56.76
    2-phenylethanol 141.96
    styrene 191.52
    dioctyl adipate 83.8
    dimethyl sulfate 187.74
    ethyl butyrate 184.27
    methyl lactate 103.89
    butyl lactate 60.77
    diethyl carbonate 134.19
    propanediol butyl ether 69.71
    triethyl orthoformate 120.38
    p-tert-butyltoluene 56.58
    methyl 4-tert-butylbenzoate 109.32
    morpholine 799.08
    tert-butylamine 76.65
    n-dodecanol 29.28
    dimethoxymethane 410.53
    ethylene carbonate 216.08
    cyrene 107.97
    2-ethoxyethyl acetate 166.9
    2-ethylhexyl acetate 158.14
    1,2,4-trichlorobenzene 268.91
    4-methylpyridine 543.74
    dibutyl ether 119.38
    2,6-dimethyl-4-heptanol 56.76
    DEF 333.67
    dimethyl isosorbide 230.4
    tetrachloroethylene 508.23
    eugenol 110.89
    triacetin 129.62
    span 80 94.48
    1,4-butanediol 52.03
    1,1-dichloroethane 497.09
    2-methyl-1-pentanol 97.94
    methyl formate 150.32
    2-methyl-1-butanol 103.91
    n-decane 11.02
    butyronitrile 213.18
    3,7-dimethyl-1-octanol 56.43
    1-chlorooctane 48.59
    1-chlorotetradecane 24.21
    n-nonane 10.13
    undecane 8.66
    tert-butylcyclohexane 24.09
    cyclooctane 18.33
    cyclopentanol 91.61
    tetrahydropyran 621.26
    tert-amyl methyl ether 118.08
    2,5,8-trioxanonane 281.06
    1-hexene 119.85
    2-isopropoxyethanol 122.38
    2,2,2-trifluoroethanol 58.91
    methyl butyrate 206.45

    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