2-(3-Benzyloxypropyl)pyridine

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  • Identifiers

    CAS number
    108715-62-4

    Molecular formula
    C15H17NO

    SMILES
    C1=CC=C(C=C1)COCCCC2=CC=CC=N2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 58.89%
    Green 53.58%
    Earthy 49.94%
    Sweet 47.16%
    Floral 39.82%
    Almond 35.75%
    Mushroom 35.04%
    Herbal 29.13%
    Nutty 27.69%
    Metallic 27.44%

     

    Flavor
    Fruity 49.63%
    Floral 49.12%
    Sweet 46.09%
    Green 44.35%
    Earthy 42.52%
    Mushroom 36.79%
    Rose 35.49%
    Spicy 31.91%
    Coffee 29.43%
    Chocolate 29.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    4.43 (weak acid)

    Molecular weight
    227.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 148.09 ˚C est.

  • Synonyms

    • QIG5SHH8YP
    • Fema No. 4832
    • 2-(3-Benzyloxypropyl)pyridine
    • UNII-QIG5SHH8YP
    • 2-(3-(Phenylmethoxy)propyl)pyridine
    • 108715-62-4
    • RefChem:197578
    • SCHEMBL18163282
    • SCHEMBL30724493
    • 108715-62-4

  • Applications

    2-(3-Benzyloxypropyl)pyridine (CAS 108715-62-4) is primarily used as an intermediate in pharmaceutical/medicinal chemistry and agrochemical development, where the pyridine core provides a versatile pharmacophore and the benzyloxypropyl side chain offers a protected alcohol handle for downstream diversification. It also serves as a protected-alcohol building block in organic synthesis, enabling iterative transformations and library generation. In catalysis and materials research, it can function as a ligand precursor or scaffold for metal-binding molecules. Thus, it is mainly a synthetic building block and intermediate used to access more advanced compounds in R&D pipelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 315.26
    methanol 408.86
    isopropanol 132.52
    water 0.6
    ethyl acetate 636.81
    n-propanol 225.41
    acetone 156.41
    n-butanol 227.23
    acetonitrile 429.78
    DMF 80.71
    toluene 378.46
    isobutanol 138.5
    1,4-dioxane 771.46
    methyl acetate 296.09
    THF 633.83
    2-butanone 232.03
    n-pentanol 186.63
    sec-butanol 135.48
    n-hexane 35.13
    ethylene glycol 61.97
    NMP 59.48
    cyclohexane 96.86
    DMSO 517.67
    n-butyl acetate 230.87
    n-octanol 47.61
    chloroform 1872.6
    n-propyl acetate 254.36
    acetic acid 366.6
    dichloromethane 2538.11
    cyclohexanone 292.48
    propylene glycol 68.46
    isopropyl acetate 233.76
    DMAc 167.24
    2-ethoxyethanol 344.09
    isopentanol 173.62
    n-heptane 45.87
    ethyl formate 277.7
    1,2-dichloroethane 1392.79
    n-hexanol 149.15
    2-methoxyethanol 390.2
    isobutyl acetate 149.49
    tetrachloromethane 141.97
    n-pentyl acetate 95.02
    transcutol 1142.95
    n-heptanol 55.91
    ethylbenzene 131.41
    MIBK 138.13
    2-propoxyethanol 247.11
    tert-butanol 130.74
    MTBE 167.36
    2-butoxyethanol 129.57
    propionic acid 177.84
    o-xylene 149.13
    formic acid 127.4
    diethyl ether 546.48
    m-xylene 164.83
    p-xylene 121.89
    chlorobenzene 354.99
    dimethyl carbonate 112.6
    n-octane 14.28
    formamide 182.89
    cyclopentanone 210.57
    2-pentanone 211.19
    anisole 231.98
    cyclopentyl methyl ether 277.84
    gamma-butyrolactone 332.88
    1-methoxy-2-propanol 215.48
    pyridine 753.37
    3-pentanone 209.43
    furfural 393.72
    n-dodecane 9.94
    diethylene glycol 189.78
    diisopropyl ether 87.36
    tert-amyl alcohol 121.34
    acetylacetone 256.49
    n-hexadecane 11.26
    acetophenone 184.84
    methyl propionate 264.32
    isopentyl acetate 184.66
    trichloroethylene 1651.28
    n-nonanol 49.05
    cyclohexanol 179.27
    benzyl alcohol 181.64
    2-ethylhexanol 102.06
    isooctanol 50.55
    dipropyl ether 276.2
    1,2-dichlorobenzene 277.68
    ethyl lactate 94.35
    propylene carbonate 224.82
    n-methylformamide 113.55
    2-pentanol 123.4
    n-pentane 34.96
    1-propoxy-2-propanol 177.54
    1-methoxy-2-propyl acetate 193.73
    2-(2-methoxypropoxy) propanol 141.78
    mesitylene 86.38
    ε-caprolactone 261.09
    p-cymene 68.79
    epichlorohydrin 822.21
    1,1,1-trichloroethane 570.22
    2-aminoethanol 119.32
    morpholine-4-carbaldehyde 224.33
    sulfolane 265.87
    2,2,4-trimethylpentane 18.81
    2-methyltetrahydrofuran 370.26
    n-hexyl acetate 112.83
    isooctane 12.73
    2-(2-butoxyethoxy)ethanol 220.4
    sec-butyl acetate 153.84
    tert-butyl acetate 156.98
    decalin 35.26
    glycerin 100.12
    diglyme 525.37
    acrylic acid 159.56
    isopropyl myristate 56.38
    n-butyric acid 357.94
    acetyl acetate 292.24
    di(2-ethylhexyl) phthalate 56.51
    ethyl propionate 232.26
    nitromethane 489.76
    1,2-diethoxyethane 430.66
    benzonitrile 231.52
    trioctyl phosphate 33.16
    1-bromopropane 660.25
    gamma-valerolactone 310.59
    n-decanol 37.8
    triethyl phosphate 94.74
    4-methyl-2-pentanol 69.8
    propionitrile 304.25
    vinylene carbonate 243.76
    1,1,2-trichlorotrifluoroethane 383.93
    DMS 119.06
    cumene 76.11
    2-octanol 31.96
    2-hexanone 176.81
    octyl acetate 63.16
    limonene 97.38
    1,2-dimethoxyethane 575.75
    ethyl orthosilicate 96.83
    tributyl phosphate 51.37
    diacetone alcohol 137.25
    N,N-dimethylaniline 129.95
    acrylonitrile 318.21
    aniline 289.9
    1,3-propanediol 180.7
    bromobenzene 424.2
    dibromomethane 1472.78
    1,1,2,2-tetrachloroethane 1179.79
    2-methyl-cyclohexyl acetate 132.82
    tetrabutyl urea 63.89
    diisobutyl methanol 66.33
    2-phenylethanol 135.25
    styrene 187.52
    dioctyl adipate 97.23
    dimethyl sulfate 128.3
    ethyl butyrate 256.53
    methyl lactate 89.39
    butyl lactate 75.07
    diethyl carbonate 172.12
    propanediol butyl ether 84.17
    triethyl orthoformate 163.15
    p-tert-butyltoluene 57.55
    methyl 4-tert-butylbenzoate 118.15
    morpholine 642.56
    tert-butylamine 94.72
    n-dodecanol 32.42
    dimethoxymethane 281.13
    ethylene carbonate 225.95
    cyrene 119.8
    2-ethoxyethyl acetate 176.37
    2-ethylhexyl acetate 141.43
    1,2,4-trichlorobenzene 274.99
    4-methylpyridine 426.41
    dibutyl ether 148.17
    2,6-dimethyl-4-heptanol 66.33
    DEF 238.84
    dimethyl isosorbide 224.76
    tetrachloroethylene 795.72
    eugenol 118.53
    triacetin 145.27
    span 80 100.75
    1,4-butanediol 89.65
    1,1-dichloroethane 791.1
    2-methyl-1-pentanol 161.18
    methyl formate 110.58
    2-methyl-1-butanol 156.26
    n-decane 16.16
    butyronitrile 342.46
    3,7-dimethyl-1-octanol 60.3
    1-chlorooctane 58.08
    1-chlorotetradecane 26.52
    n-nonane 15.53
    undecane 12.07
    tert-butylcyclohexane 25.95
    cyclooctane 32.96
    cyclopentanol 115.84
    tetrahydropyran 657.56
    tert-amyl methyl ether 136.49
    2,5,8-trioxanonane 315.3
    1-hexene 148.55
    2-isopropoxyethanol 193.15
    2,2,2-trifluoroethanol 100.29
    methyl butyrate 275.48

    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