Methyl 2-pyridylacetate

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  • Identifiers

    CAS number
    1658-42-0

    Molecular formula
    C8H9NO2

    SMILES
    COC(=O)CC1=CC=CC=N1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 65.77%
    Sweet 43.23%
    Floral 39.49%
    Nutty 39.43%
    Honey 35.4%
    Caramellic 32.73%
    Green 31.5%
    Tobacco 30.42%
    Animal 30.37%
    Burnt 30.19%

     

    Flavor
    Fruity 57.53%
    Sweet 46.51%
    Floral 44.67%
    Musty 27.03%
    Oily 26.77%
    Fatty 26.62%
    Grape 25.6%
    Strawberry 25.5%
    Green 25.08%
    Tropical 24.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    4.86 (weak acid)

    Molecular weight
    151.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 107.31 ˚C est.

  • Synonyms

    • Methyl 2-pyridylacetate
    • 1658-42-0
    • 2-Pyridineacetic acid, methyl ester
    • EINECS 216-759-8
    • DTXSID90168027
    • NSC 72093
    • RefChem:157385
    • DTXCID8090518
    • 216-759-8
    • ORAKNQSHWMHCEY-UHFFFAOYSA-N
    • methyl 2-(pyridin-2-yl)acetate
    • 2-Pyridylacetic Acid Methyl Ester
    • methyl 2-pyridin-2-ylacetate
    • 2-Pyridineacetic Acid Methyl Ester
    • MFCD00006358
    • METHYL PYRIDINE-2-ACETATE
    • methyl 2-(2-pyridyl)acetate
    • Methyl 2-Pyridineacetate
    • Methyl 2-pyridinylacetate
    • NSC-72093
    • Pyridin-2-yl-acetic acid methyl ester
    • methyl pyridin-2-ylacetate
    • 2-[(Methoxycarbonyl)methyl]pyridine; Methyl 2-(2-pyridyl)acetate; Methyl 2-(pyridin-2-yl)acetate
    • Methyl 2-pyridinylacetate #
    • SCHEMBL78000
    • Methyl (pyridin-2-yl)acetate
    • 237A7LB4JC
    • Methyl 2-pyridylacetate, 98%
    • SCHEMBL1515148
    • SCHEMBL6013805
    • SCHEMBL6596527
    • SCHEMBL29390571
    • HMS1773O10
    • NSC72093
    • 2-[(Methoxycarbonyl)methyl]pyridine
    • pyridin-2-ylacetic acid methyl ester
    • AKOS001200251
    • PB18397
    • AC-30972
    • FM154992
    • SY030291
    • TS-01994
    • CS-0020075
    • NS00025428
    • P1268
    • EN300-23395
    • F092468
    • Z147652450
    • 1658-42-0

  • Applications

    Methyl 2-pyridylacetate (CAS 1658-42-0) is widely used as an intermediate in the synthesis of pyridine-containing compounds for pharmaceuticals and agrochemicals; it also serves as a versatile building block in organic synthesis to generate substituted pyridine derivatives via hydrolysis, amidation, or cross-coupling reactions; it is a convenient precursor for 2-pyridylacetic acid derivatives used as ligands in coordination chemistry and in catalytic systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 197.08
    methanol 344.95
    isopropanol 128.7
    water 36.24
    ethyl acetate 80.36
    n-propanol 125.09
    acetone 72.23
    n-butanol 90.93
    acetonitrile 111.49
    DMF 773.42
    toluene 52.43
    isobutanol 88.29
    1,4-dioxane 263.12
    methyl acetate 111.92
    THF 141.7
    2-butanone 63.66
    n-pentanol 53.49
    sec-butanol 77.93
    n-hexane 0.85
    ethylene glycol 191.25
    NMP 314.06
    cyclohexane 3.56
    DMSO 397.67
    n-butyl acetate 19.2
    n-octanol 13.97
    chloroform 175.07
    n-propyl acetate 21.69
    acetic acid 183.8
    dichloromethane 179.13
    cyclohexanone 96.49
    propylene glycol 163.5
    isopropyl acetate 27.7
    DMAc 664.34
    2-ethoxyethanol 152.74
    isopentanol 63.4
    n-heptane 1.35
    ethyl formate 91.87
    1,2-dichloroethane 83.93
    n-hexanol 32.05
    2-methoxyethanol 434.95
    isobutyl acetate 14.97
    tetrachloromethane 18.33
    n-pentyl acetate 12.21
    transcutol 233.28
    n-heptanol 15.39
    ethylbenzene 16.88
    MIBK 23.73
    2-propoxyethanol 96.58
    tert-butanol 121.75
    MTBE 35.83
    2-butoxyethanol 48.01
    propionic acid 151.23
    o-xylene 38.64
    formic acid 287.85
    diethyl ether 31.86
    m-xylene 31.57
    p-xylene 25.25
    chlorobenzene 54.93
    dimethyl carbonate 66.25
    n-octane 0.63
    formamide 345.07
    cyclopentanone 105.48
    2-pentanone 37.19
    anisole 62.09
    cyclopentyl methyl ether 53.81
    gamma-butyrolactone 159.79
    1-methoxy-2-propanol 207.18
    pyridine 222.83
    3-pentanone 37.67
    furfural 229.58
    n-dodecane 0.95
    diethylene glycol 158.18
    diisopropyl ether 6.38
    tert-amyl alcohol 73.14
    acetylacetone 54.94
    n-hexadecane 1.07
    acetophenone 56.34
    methyl propionate 101.95
    isopentyl acetate 19.65
    trichloroethylene 201.41
    n-nonanol 13.09
    cyclohexanol 81.24
    benzyl alcohol 85.26
    2-ethylhexanol 17.76
    isooctanol 12.72
    dipropyl ether 14.17
    1,2-dichlorobenzene 53.12
    ethyl lactate 32.49
    propylene carbonate 84.71
    n-methylformamide 350.79
    2-pentanol 34.35
    n-pentane 1.17
    1-propoxy-2-propanol 47.26
    1-methoxy-2-propyl acetate 40.3
    2-(2-methoxypropoxy) propanol 58.53
    mesitylene 15.3
    ε-caprolactone 85.42
    p-cymene 10.39
    epichlorohydrin 173.8
    1,1,1-trichloroethane 61.93
    2-aminoethanol 233.19
    morpholine-4-carbaldehyde 334.04
    sulfolane 174.43
    2,2,4-trimethylpentane 1.59
    2-methyltetrahydrofuran 89.63
    n-hexyl acetate 19.0
    isooctane 0.94
    2-(2-butoxyethoxy)ethanol 73.63
    sec-butyl acetate 15.16
    tert-butyl acetate 26.57
    decalin 2.74
    glycerin 270.84
    diglyme 135.89
    acrylic acid 163.04
    isopropyl myristate 9.98
    n-butyric acid 116.15
    acetyl acetate 48.61
    di(2-ethylhexyl) phthalate 19.26
    ethyl propionate 27.72
    nitromethane 275.39
    1,2-diethoxyethane 32.23
    benzonitrile 75.67
    trioctyl phosphate 10.75
    1-bromopropane 31.8
    gamma-valerolactone 199.08
    n-decanol 10.38
    triethyl phosphate 20.41
    4-methyl-2-pentanol 17.79
    propionitrile 93.32
    vinylene carbonate 109.82
    1,1,2-trichlorotrifluoroethane 232.42
    DMS 36.46
    cumene 13.29
    2-octanol 8.09
    2-hexanone 20.66
    octyl acetate 13.38
    limonene 13.71
    1,2-dimethoxyethane 160.13
    ethyl orthosilicate 18.42
    tributyl phosphate 13.57
    diacetone alcohol 59.61
    N,N-dimethylaniline 48.69
    acrylonitrile 158.43
    aniline 133.07
    1,3-propanediol 223.47
    bromobenzene 45.76
    dibromomethane 79.91
    1,1,2,2-tetrachloroethane 153.35
    2-methyl-cyclohexyl acetate 22.67
    tetrabutyl urea 22.78
    diisobutyl methanol 10.65
    2-phenylethanol 46.22
    styrene 24.46
    dioctyl adipate 20.08
    dimethyl sulfate 120.71
    ethyl butyrate 20.85
    methyl lactate 96.39
    butyl lactate 21.7
    diethyl carbonate 22.26
    propanediol butyl ether 52.13
    triethyl orthoformate 20.83
    p-tert-butyltoluene 9.84
    methyl 4-tert-butylbenzoate 40.1
    morpholine 330.4
    tert-butylamine 51.47
    n-dodecanol 8.58
    dimethoxymethane 196.64
    ethylene carbonate 82.69
    cyrene 72.54
    2-ethoxyethyl acetate 26.94
    2-ethylhexyl acetate 15.33
    1,2,4-trichlorobenzene 67.58
    4-methylpyridine 180.82
    dibutyl ether 11.53
    2,6-dimethyl-4-heptanol 10.65
    DEF 137.52
    dimethyl isosorbide 78.53
    tetrachloroethylene 99.41
    eugenol 50.94
    triacetin 34.31
    span 80 40.52
    1,4-butanediol 85.71
    1,1-dichloroethane 73.85
    2-methyl-1-pentanol 40.86
    methyl formate 208.82
    2-methyl-1-butanol 65.9
    n-decane 1.22
    butyronitrile 74.9
    3,7-dimethyl-1-octanol 15.1
    1-chlorooctane 6.03
    1-chlorotetradecane 3.43
    n-nonane 1.01
    undecane 1.05
    tert-butylcyclohexane 2.29
    cyclooctane 1.13
    cyclopentanol 93.76
    tetrahydropyran 106.75
    tert-amyl methyl ether 29.4
    2,5,8-trioxanonane 112.4
    1-hexene 5.73
    2-isopropoxyethanol 67.87
    2,2,2-trifluoroethanol 105.44
    methyl butyrate 37.61

    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