Ethyl 2-pyridylacetate

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  • Identifiers

    CAS number
    2739-98-2

    Molecular formula
    C9H11NO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 69.5%
    Floral 55.79%
    Sweet 52.79%
    Honey 41.98%
    Animal 32.48%
    Tobacco 32.35%
    Caramellic 32.33%
    Winey 30.97%
    Nutty 30.52%
    Woody 28.58%

     

    Flavor
    Fruity 68.77%
    Sweet 60.94%
    Floral 51.0%
    Grape 32.58%
    Bitter 28.65%
    Tropical 28.5%
    Honey 28.41%
    Pineapple 28.14%
    Berry 27.73%
    Chocolate 27.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.02 (weak acid)

    Molecular weight
    165.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 111.64 ˚C est.

  • Synonyms

    • Ethyl 2-pyridylacetate
    • 2739-98-2
    • EINECS 220-365-1
    • DTXSID90181817
    • NSC 82347
    • RefChem:594517
    • DTXCID30104308
    • 220-365-1
    • ethyl 2-(pyridin-2-yl)acetate
    • Ethyl pyridine-2-acetate
    • ethyl 2-pyridin-2-ylacetate
    • MFCD00006359
    • 2-Pyridineacetic Acid Ethyl Ester
    • 2-Pyridineacetic acid, ethyl ester
    • ethyl 2-(2-pyridyl)acetate
    • Ethyl 2-pyridineacetate
    • Ethyl 2-pyridinylacetate
    • Ethyl (pyridin-2-yl)acetate
    • 2-Pyridylacetic Acid Ethyl Ester
    • 3YNQ9EN6RL
    • (2-Pyridinyl)acetic acid ethyl ester
    • ETHYL PYRIDIN-2-YLACETATE
    • NSC-82347
    • 2-(2-pyridyl)acetic acid ethyl ester
    • Ethyl2-pyridylacetate
    • ethyl pyrid-2-ylacetate
    • UNII-3YNQ9EN6RL
    • Ethyl 2-pyridinylacetate #
    • ETHYL-2-PYRIDYLACETATE
    • SCHEMBL134991
    • ethyl 2-(2-pyridinyl)acetate
    • Ethyl 2-pyridylacetate, 98%
    • SCHEMBL3668367
    • ethylnbsp2-(pyridinyl-2)acetate
    • SCHEMBL30858931
    • Ethyl-2-(pyridine-2-yl)acetate
    • BB_SC-12940
    • NSC82347
    • STR02169
    • SBB058275
    • AKOS009158905
    • AB00728
    • EBC-152117
    • FG-0449
    • FE155657
    • SY001136
    • CS-0020135
    • NS00028296
    • PYRIDIN-2-YL-ACETIC ACID ETHYL ESTER
    • ST50308267
    • EN300-126993
    • F217032
    • Q63408947
    • Z1143356340
    • 2739-98-2

  • Applications

    Ethyl 2-pyridylacetate (CAS 2739-98-2) is an ester bearing a pyridine moiety that is commonly used as an odorant and fragrance ingredient in perfumery and cosmetics, and it may also serve as an odorant in household cleaning products; industrially, it is valued as a synthetic building block for heterocyclic pyridine-containing compounds in organic synthesis, supporting the development of pharmaceutical and agrochemical intermediates; in addition, it is often used as a precursor for the synthesis of various specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 194.83
    methanol 314.06
    isopropanol 111.38
    water 7.33
    ethyl acetate 87.89
    n-propanol 117.95
    acetone 153.73
    n-butanol 103.01
    acetonitrile 117.21
    DMF 740.64
    toluene 52.35
    isobutanol 80.11
    1,4-dioxane 263.65
    methyl acetate 103.97
    THF 246.27
    2-butanone 95.72
    n-pentanol 63.53
    sec-butanol 72.41
    n-hexane 2.59
    ethylene glycol 161.32
    NMP 477.45
    cyclohexane 7.61
    DMSO 645.0
    n-butyl acetate 46.74
    n-octanol 20.14
    chloroform 323.0
    n-propyl acetate 36.73
    acetic acid 349.94
    dichloromethane 317.72
    cyclohexanone 170.73
    propylene glycol 126.77
    isopropyl acetate 45.87
    DMAc 655.4
    2-ethoxyethanol 152.56
    isopentanol 80.77
    n-heptane 2.12
    ethyl formate 76.79
    1,2-dichloroethane 172.39
    n-hexanol 48.73
    2-methoxyethanol 347.73
    isobutyl acetate 28.52
    tetrachloromethane 22.59
    n-pentyl acetate 24.35
    transcutol 449.5
    n-heptanol 18.41
    ethylbenzene 21.07
    MIBK 40.95
    2-propoxyethanol 124.5
    tert-butanol 123.01
    MTBE 55.23
    2-butoxyethanol 57.18
    propionic acid 162.96
    o-xylene 37.13
    formic acid 249.47
    diethyl ether 54.95
    m-xylene 35.52
    p-xylene 30.98
    chlorobenzene 91.52
    dimethyl carbonate 69.1
    n-octane 0.9
    formamide 256.99
    cyclopentanone 183.48
    2-pentanone 64.4
    anisole 73.79
    cyclopentyl methyl ether 88.99
    gamma-butyrolactone 240.18
    1-methoxy-2-propanol 189.52
    pyridine 243.95
    3-pentanone 60.14
    furfural 291.5
    n-dodecane 1.56
    diethylene glycol 176.33
    diisopropyl ether 13.05
    tert-amyl alcohol 80.46
    acetylacetone 103.94
    n-hexadecane 1.78
    acetophenone 71.88
    methyl propionate 103.26
    isopentyl acetate 47.78
    trichloroethylene 356.83
    n-nonanol 19.11
    cyclohexanol 105.32
    benzyl alcohol 85.64
    2-ethylhexanol 27.2
    isooctanol 15.96
    dipropyl ether 24.51
    1,2-dichlorobenzene 86.7
    ethyl lactate 43.68
    propylene carbonate 126.2
    n-methylformamide 247.98
    2-pentanol 44.69
    n-pentane 2.69
    1-propoxy-2-propanol 69.26
    1-methoxy-2-propyl acetate 75.44
    2-(2-methoxypropoxy) propanol 94.93
    mesitylene 20.28
    ε-caprolactone 132.97
    p-cymene 16.03
    epichlorohydrin 258.02
    1,1,1-trichloroethane 103.89
    2-aminoethanol 186.67
    morpholine-4-carbaldehyde 365.8
    sulfolane 322.7
    2,2,4-trimethylpentane 3.12
    2-methyltetrahydrofuran 138.43
    n-hexyl acetate 41.94
    isooctane 1.96
    2-(2-butoxyethoxy)ethanol 116.77
    sec-butyl acetate 29.23
    tert-butyl acetate 49.18
    decalin 5.71
    glycerin 217.67
    diglyme 207.44
    acrylic acid 186.2
    isopropyl myristate 18.75
    n-butyric acid 159.63
    acetyl acetate 82.57
    di(2-ethylhexyl) phthalate 35.07
    ethyl propionate 43.12
    nitromethane 378.03
    1,2-diethoxyethane 71.78
    benzonitrile 93.91
    trioctyl phosphate 19.09
    1-bromopropane 63.64
    gamma-valerolactone 273.67
    n-decanol 15.22
    triethyl phosphate 34.85
    4-methyl-2-pentanol 26.41
    propionitrile 91.7
    vinylene carbonate 140.52
    1,1,2-trichlorotrifluoroethane 275.95
    DMS 70.92
    cumene 17.29
    2-octanol 11.38
    2-hexanone 39.33
    octyl acetate 24.54
    limonene 22.7
    1,2-dimethoxyethane 190.4
    ethyl orthosilicate 30.8
    tributyl phosphate 28.52
    diacetone alcohol 80.53
    N,N-dimethylaniline 57.34
    acrylonitrile 143.99
    aniline 119.77
    1,3-propanediol 191.29
    bromobenzene 88.21
    dibromomethane 163.5
    1,1,2,2-tetrachloroethane 284.5
    2-methyl-cyclohexyl acetate 43.23
    tetrabutyl urea 41.43
    diisobutyl methanol 17.27
    2-phenylethanol 61.48
    styrene 33.57
    dioctyl adipate 39.47
    dimethyl sulfate 141.88
    ethyl butyrate 40.33
    methyl lactate 95.41
    butyl lactate 35.14
    diethyl carbonate 40.06
    propanediol butyl ether 71.94
    triethyl orthoformate 36.81
    p-tert-butyltoluene 15.2
    methyl 4-tert-butylbenzoate 61.13
    morpholine 280.37
    tert-butylamine 59.0
    n-dodecanol 12.56
    dimethoxymethane 198.28
    ethylene carbonate 108.24
    cyrene 98.4
    2-ethoxyethyl acetate 50.88
    2-ethylhexyl acetate 36.04
    1,2,4-trichlorobenzene 106.9
    4-methylpyridine 188.24
    dibutyl ether 22.73
    2,6-dimethyl-4-heptanol 17.27
    DEF 155.56
    dimethyl isosorbide 133.06
    tetrachloroethylene 161.21
    eugenol 71.44
    triacetin 65.47
    span 80 64.33
    1,4-butanediol 73.22
    1,1-dichloroethane 123.94
    2-methyl-1-pentanol 58.8
    methyl formate 151.09
    2-methyl-1-butanol 75.41
    n-decane 1.96
    butyronitrile 88.99
    3,7-dimethyl-1-octanol 24.36
    1-chlorooctane 10.97
    1-chlorotetradecane 6.23
    n-nonane 1.59
    undecane 1.71
    tert-butylcyclohexane 4.82
    cyclooctane 2.0
    cyclopentanol 110.84
    tetrahydropyran 142.98
    tert-amyl methyl ether 44.51
    2,5,8-trioxanonane 170.95
    1-hexene 13.79
    2-isopropoxyethanol 73.52
    2,2,2-trifluoroethanol 120.22
    methyl butyrate 56.52

    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