2-Benzylpyridine

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  • Identifiers

    CAS number
    101-82-6

    Molecular formula
    C12H11N

    SMILES
    C1=CC=C(C=C1)CC2=CC=CC=N2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.33%
    Earthy 58.12%
    Herbal 53.52%
    Metallic 47.13%
    Vegetable 43.23%
    Leafy 43.01%
    Floral 42.71%
    Sweet 42.23%
    Animal 41.94%
    Rose 37.1%

     

    Flavor
    Green 71.32%
    Floral 42.39%
    Sweet 38.7%
    Waxy 34.42%
    Rose 34.23%
    Honey 33.09%
    Leaf 30.86%
    Earthy 30.33%
    Bitter 29.18%
    Hyacinth 28.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.41 (weak acid)

    Molecular weight
    169.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 122.92 ˚C est.

  • Synonyms

    • 2-BENZYLPYRIDINE
    • 101-82-6
    • Pyridine, 2-(phenylmethyl)-
    • Pyridine, 2-benzyl-
    • 2-(Phenylmethyl)pyridine
    • 2-benzyl-pyridine
    • UNII-EW2N4V60MQ
    • NSC 4033
    • EINECS 202-979-1
    • EW2N4V60MQ
    • BRN 0115875
    • AI3-11559
    • NSC-4033
    • DTXSID5059240
    • 5-20-07-00556 (Beilstein Handbook Reference)
    • PHENIRAMINE MALEATE IMPURITY A [EP IMPURITY]
    • PHENIRAMINE MALEATE IMPURITY A (EP IMPURITY)
    • benzylpyridine
    • Pheniramine Maleate Imp. A (EP); Pheniramine Imp. A (EP); 2-Benzylpyridine; Pheniramine Maleate Impurity A; Pheniramine Impurity A
    • MFCD00006352
    • 2-Benzylpyridine, 98%
    • SCHEMBL64435
    • CHEMBL3248606
    • DTXCID8032590
    • NSC4033
    • BBL011348
    • STL146438
    • AKOS000119194
    • AC-19013
    • AS-59231
    • DB-015941
    • B0436
    • NS00020250
    • EN300-18087
    • F19573
    • A800462
    • AC-907/25014395
    • Q27277389
    • Z57160157
    • F0001-0053
    • Pheniramine impurity A, European Pharmacopoeia (EP) Reference Standard
    • 202-979-1

  • Applications

    2-Benzylpyridine, CAS 101-82-6, is mainly used as an organic-synthesis intermediate and as a ligand in coordination chemistry for transition-metal catalysis. It serves as a building block for preparing more complex pyridine and heterocyclic derivatives, and as a research precursor in pharmaceutical development and materials science. In materials chemistry, it is used as a precursor for functional organic compounds and as a coordinating ligand in metal–organic frameworks or related materials. In polymer chemistry, it can be incorporated to introduce pyridine functionality into polymer backbones or crosslinking systems, depending on the formulation. Applications depend on formulation goals and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.15
    methanol 151.97
    isopropanol 58.07
    water 0.16
    ethyl acetate 341.62
    n-propanol 116.36
    acetone 176.94
    n-butanol 85.29
    acetonitrile 183.63
    DMF 189.21
    toluene 234.52
    isobutanol 59.01
    1,4-dioxane 661.58
    methyl acetate 207.3
    THF 477.73
    2-butanone 208.43
    n-pentanol 77.69
    sec-butanol 60.33
    n-hexane 20.1
    ethylene glycol 58.85
    NMP 117.23
    cyclohexane 38.0
    DMSO 415.64
    n-butyl acetate 149.67
    n-octanol 30.22
    chloroform 769.19
    n-propyl acetate 122.79
    acetic acid 140.13
    dichloromethane 748.3
    cyclohexanone 238.12
    propylene glycol 71.08
    isopropyl acetate 119.4
    DMAc 236.86
    2-ethoxyethanol 152.12
    isopentanol 61.95
    n-heptane 28.02
    ethyl formate 137.76
    1,2-dichloroethane 562.64
    n-hexanol 96.83
    2-methoxyethanol 240.05
    isobutyl acetate 81.82
    tetrachloromethane 51.33
    n-pentyl acetate 53.2
    transcutol 838.02
    n-heptanol 32.62
    ethylbenzene 83.73
    MIBK 84.66
    2-propoxyethanol 187.5
    tert-butanol 59.03
    MTBE 84.91
    2-butoxyethanol 72.41
    propionic acid 120.15
    o-xylene 92.24
    formic acid 42.36
    diethyl ether 295.48
    m-xylene 96.13
    p-xylene 78.23
    chlorobenzene 216.02
    dimethyl carbonate 115.81
    n-octane 7.5
    formamide 78.31
    cyclopentanone 263.53
    2-pentanone 161.2
    anisole 179.32
    cyclopentyl methyl ether 181.76
    gamma-butyrolactone 320.95
    1-methoxy-2-propanol 153.1
    pyridine 630.09
    3-pentanone 177.1
    furfural 312.41
    n-dodecane 6.13
    diethylene glycol 155.25
    diisopropyl ether 48.3
    tert-amyl alcohol 54.74
    acetylacetone 202.17
    n-hexadecane 7.09
    acetophenone 127.47
    methyl propionate 224.36
    isopentyl acetate 121.85
    trichloroethylene 829.76
    n-nonanol 31.32
    cyclohexanol 75.07
    benzyl alcohol 112.49
    2-ethylhexanol 67.69
    isooctanol 28.89
    dipropyl ether 189.23
    1,2-dichlorobenzene 153.01
    ethyl lactate 56.47
    propylene carbonate 173.15
    n-methylformamide 112.93
    2-pentanol 49.25
    n-pentane 14.4
    1-propoxy-2-propanol 127.77
    1-methoxy-2-propyl acetate 163.62
    2-(2-methoxypropoxy) propanol 110.93
    mesitylene 50.12
    ε-caprolactone 202.04
    p-cymene 45.81
    epichlorohydrin 485.1
    1,1,1-trichloroethane 240.99
    2-aminoethanol 92.39
    morpholine-4-carbaldehyde 264.0
    sulfolane 273.96
    2,2,4-trimethylpentane 8.97
    2-methyltetrahydrofuran 256.16
    n-hexyl acetate 72.96
    isooctane 6.64
    2-(2-butoxyethoxy)ethanol 159.04
    sec-butyl acetate 79.66
    tert-butyl acetate 96.95
    decalin 22.41
    glycerin 98.4
    diglyme 359.99
    acrylic acid 118.12
    isopropyl myristate 39.74
    n-butyric acid 156.75
    acetyl acetate 163.99
    di(2-ethylhexyl) phthalate 45.14
    ethyl propionate 131.68
    nitromethane 262.95
    1,2-diethoxyethane 268.56
    benzonitrile 134.33
    trioctyl phosphate 24.2
    1-bromopropane 230.14
    gamma-valerolactone 305.01
    n-decanol 25.62
    triethyl phosphate 59.47
    4-methyl-2-pentanol 32.49
    propionitrile 169.53
    vinylene carbonate 183.73
    1,1,2-trichlorotrifluoroethane 260.57
    DMS 110.31
    cumene 49.87
    2-octanol 19.14
    2-hexanone 106.64
    octyl acetate 45.49
    limonene 64.68
    1,2-dimethoxyethane 295.98
    ethyl orthosilicate 58.6
    tributyl phosphate 34.81
    diacetone alcohol 92.64
    N,N-dimethylaniline 99.5
    acrylonitrile 219.86
    aniline 190.53
    1,3-propanediol 92.15
    bromobenzene 245.32
    dibromomethane 446.63
    1,1,2,2-tetrachloroethane 600.89
    2-methyl-cyclohexyl acetate 86.55
    tetrabutyl urea 46.16
    diisobutyl methanol 44.71
    2-phenylethanol 99.91
    styrene 133.36
    dioctyl adipate 66.94
    dimethyl sulfate 139.17
    ethyl butyrate 138.75
    methyl lactate 83.99
    butyl lactate 48.16
    diethyl carbonate 98.89
    propanediol butyl ether 60.31
    triethyl orthoformate 92.21
    p-tert-butyltoluene 41.99
    methyl 4-tert-butylbenzoate 85.37
    morpholine 517.09
    tert-butylamine 41.42
    n-dodecanol 22.52
    dimethoxymethane 281.67
    ethylene carbonate 152.92
    cyrene 87.3
    2-ethoxyethyl acetate 112.89
    2-ethylhexyl acetate 96.59
    1,2,4-trichlorobenzene 179.9
    4-methylpyridine 310.5
    dibutyl ether 90.49
    2,6-dimethyl-4-heptanol 44.71
    DEF 196.35
    dimethyl isosorbide 176.92
    tetrachloroethylene 349.55
    eugenol 83.55
    triacetin 98.34
    span 80 81.26
    1,4-butanediol 43.42
    1,1-dichloroethane 288.52
    2-methyl-1-pentanol 67.53
    methyl formate 102.01
    2-methyl-1-butanol 61.08
    n-decane 9.44
    butyronitrile 138.63
    3,7-dimethyl-1-octanol 42.43
    1-chlorooctane 35.14
    1-chlorotetradecane 18.69
    n-nonane 8.91
    undecane 7.2
    tert-butylcyclohexane 17.7
    cyclooctane 14.79
    cyclopentanol 66.04
    tetrahydropyran 418.18
    tert-amyl methyl ether 76.39
    2,5,8-trioxanonane 236.38
    1-hexene 86.59
    2-isopropoxyethanol 94.02
    2,2,2-trifluoroethanol 41.43
    methyl butyrate 142.15

    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