Ethyl pyridine-4-acetate

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  • Identifiers

    CAS number
    54401-85-3

    Molecular formula
    C9H11NO2

    SMILES
    CCOC(=O)CC1=CC=NC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 62.75%
    Floral 55.51%
    Sweet 54.62%
    Honey 44.06%
    Animal 34.43%
    Tobacco 33.58%
    Nutty 32.61%
    Caramellic 31.94%
    Woody 29.76%
    Winey 28.91%

     

    Flavor
    Sweet 69.98%
    Fruity 68.64%
    Floral 57.0%
    Honey 35.39%
    Balsam 34.59%
    Grape 32.15%
    Bitter 32.04%
    Chocolate 31.08%
    Berry 29.94%
    Pineapple 29.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.21 (weak acid)

    Molecular weight
    165.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 117.62 ˚C est.

  • Synonyms

    • 54401-85-3
    • Ethyl pyridine-4-acetate
    • Ethyl 4-Pyridineacetate
    • EINECS 259-150-2
    • DTXSID30202797
    • RefChem:596391
    • DTXCID60125288
    • 259-150-2
    • Ethyl 4-pyridylacetate
    • Ethyl 2-(pyridin-4-yl)acetate
    • ethyl pyridin-4-ylacetate
    • ethyl 2-pyridin-4-ylacetate
    • 4-Pyridineacetic Acid Ethyl Ester
    • 4-Pyridineacetic acid, ethyl ester
    • MFCD00051830
    • ETHYL4-PYRIDYLACETATE
    • ethyl 2-(4-pyridyl)acetate
    • 4-Pyridylacetic Acid Ethyl Ester
    • ethyl 2-pyridin-4-ylethanoate
    • ethyl-4-pyridylacetate
    • ethyl 4-pyridinylacetate
    • APK5D2L7VQ
    • ethyl pyridine-4-ylacetate
    • ethyl (pyridin-4-yl)acetate
    • SCHEMBL304656
    • SCHEMBL974257
    • ethyl 2-(4-pyridinyl)acetate
    • Ethyl 4-pyridylacetate, 97%
    • orb3030428
    • ECA40185
    • SBB053836
    • pyridin-4-yl-acetic acid ethyl ester
    • AKOS005206776
    • CS-W017889
    • FG-0450
    • SY011632
    • 2-(pyridin-4-yl)ethanoic acid ethyl ester
    • NS00033076
    • P1399
    • ST50406939
    • EN300-113391
    • W12171
    • F066890
    • ethyl 2-(pyridin-4-yl)acetate;Ethyl 4-pyridyl acetate
    • InChI=1/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H
    • S3S
    • 54401-85-3

  • Applications

    Ethyl pyridine-4-acetate, CAS 54401-85-3, is primarily used as an organic synthesis intermediate for pyridine-containing compounds with practical applications in pharmaceuticals and agrochemicals; it also serves as a precursor for the synthesis of pyridine derivatives used in dyes/pigments and specialty polymers, and may function as an intermediate in coatings/inks and other industrial manufacturing processes; in perfumery and cosmetics, it can be used as a fragrance precursor or intermediate for aroma compounds; use is subject to local regulations and formulation-safety limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 271.76
    methanol 442.56
    isopropanol 144.97
    water 9.8
    ethyl acetate 79.38
    n-propanol 171.34
    acetone 120.94
    n-butanol 130.2
    acetonitrile 159.98
    DMF 656.98
    toluene 68.09
    isobutanol 105.12
    1,4-dioxane 249.93
    methyl acetate 92.18
    THF 193.14
    2-butanone 87.96
    n-pentanol 89.36
    sec-butanol 100.26
    n-hexane 3.35
    ethylene glycol 150.93
    NMP 365.92
    cyclohexane 9.2
    DMSO 542.71
    n-butyl acetate 41.02
    n-octanol 23.03
    chloroform 358.07
    n-propyl acetate 37.4
    acetic acid 410.27
    dichloromethane 326.2
    cyclohexanone 160.83
    propylene glycol 134.42
    isopropyl acetate 35.37
    DMAc 575.26
    2-ethoxyethanol 177.96
    isopentanol 84.71
    n-heptane 2.46
    ethyl formate 84.42
    1,2-dichloroethane 169.66
    n-hexanol 56.41
    2-methoxyethanol 365.42
    isobutyl acetate 26.82
    tetrachloromethane 24.03
    n-pentyl acetate 24.08
    transcutol 459.32
    n-heptanol 20.72
    ethylbenzene 24.99
    MIBK 34.25
    2-propoxyethanol 119.08
    tert-butanol 133.4
    MTBE 50.22
    2-butoxyethanol 61.8
    propionic acid 180.01
    o-xylene 43.86
    formic acid 327.78
    diethyl ether 56.88
    m-xylene 38.87
    p-xylene 36.87
    chlorobenzene 100.16
    dimethyl carbonate 52.21
    n-octane 1.08
    formamide 343.54
    cyclopentanone 151.84
    2-pentanone 54.63
    anisole 74.28
    cyclopentyl methyl ether 73.82
    gamma-butyrolactone 202.71
    1-methoxy-2-propanol 185.0
    pyridine 295.98
    3-pentanone 53.33
    furfural 279.45
    n-dodecane 1.61
    diethylene glycol 168.73
    diisopropyl ether 10.97
    tert-amyl alcohol 90.76
    acetylacetone 77.23
    n-hexadecane 1.83
    acetophenone 75.66
    methyl propionate 83.13
    isopentyl acetate 40.78
    trichloroethylene 343.0
    n-nonanol 21.36
    cyclohexanol 116.52
    benzyl alcohol 103.3
    2-ethylhexanol 27.56
    isooctanol 17.65
    dipropyl ether 23.27
    1,2-dichlorobenzene 87.24
    ethyl lactate 43.95
    propylene carbonate 104.16
    n-methylformamide 297.25
    2-pentanol 52.18
    n-pentane 3.5
    1-propoxy-2-propanol 67.16
    1-methoxy-2-propyl acetate 58.97
    2-(2-methoxypropoxy) propanol 92.53
    mesitylene 21.24
    ε-caprolactone 124.42
    p-cymene 16.07
    epichlorohydrin 219.44
    1,1,1-trichloroethane 98.76
    2-aminoethanol 216.45
    morpholine-4-carbaldehyde 311.34
    sulfolane 257.23
    2,2,4-trimethylpentane 3.27
    2-methyltetrahydrofuran 115.14
    n-hexyl acetate 39.0
    isooctane 1.89
    2-(2-butoxyethoxy)ethanol 118.26
    sec-butyl acetate 26.45
    tert-butyl acetate 37.13
    decalin 5.61
    glycerin 214.48
    diglyme 203.86
    acrylic acid 203.57
    isopropyl myristate 17.68
    n-butyric acid 165.63
    acetyl acetate 63.57
    di(2-ethylhexyl) phthalate 32.63
    ethyl propionate 38.51
    nitromethane 407.64
    1,2-diethoxyethane 70.84
    benzonitrile 112.82
    trioctyl phosphate 18.03
    1-bromopropane 67.68
    gamma-valerolactone 243.04
    n-decanol 16.64
    triethyl phosphate 31.14
    4-methyl-2-pentanol 27.39
    propionitrile 116.65
    vinylene carbonate 130.09
    1,1,2-trichlorotrifluoroethane 261.1
    DMS 57.27
    cumene 19.01
    2-octanol 13.14
    2-hexanone 42.66
    octyl acetate 23.66
    limonene 22.2
    1,2-dimethoxyethane 193.81
    ethyl orthosilicate 27.89
    tributyl phosphate 25.5
    diacetone alcohol 68.97
    N,N-dimethylaniline 61.42
    acrylonitrile 188.61
    aniline 150.95
    1,3-propanediol 215.1
    bromobenzene 90.83
    dibromomethane 169.33
    1,1,2,2-tetrachloroethane 265.61
    2-methyl-cyclohexyl acetate 38.56
    tetrabutyl urea 37.81
    diisobutyl methanol 16.91
    2-phenylethanol 63.88
    styrene 40.27
    dioctyl adipate 35.7
    dimethyl sulfate 103.83
    ethyl butyrate 35.08
    methyl lactate 85.4
    butyl lactate 35.95
    diethyl carbonate 35.19
    propanediol butyl ether 76.55
    triethyl orthoformate 34.09
    p-tert-butyltoluene 15.42
    methyl 4-tert-butylbenzoate 55.83
    morpholine 306.24
    tert-butylamine 63.98
    n-dodecanol 13.44
    dimethoxymethane 162.07
    ethylene carbonate 96.87
    cyrene 93.86
    2-ethoxyethyl acetate 46.58
    2-ethylhexyl acetate 31.07
    1,2,4-trichlorobenzene 109.21
    4-methylpyridine 210.78
    dibutyl ether 24.02
    2,6-dimethyl-4-heptanol 16.91
    DEF 142.23
    dimethyl isosorbide 113.33
    tetrachloroethylene 169.14
    eugenol 70.48
    triacetin 59.77
    span 80 64.69
    1,4-butanediol 92.56
    1,1-dichloroethane 130.37
    2-methyl-1-pentanol 70.18
    methyl formate 157.12
    2-methyl-1-butanol 84.95
    n-decane 2.17
    butyronitrile 110.89
    3,7-dimethyl-1-octanol 25.12
    1-chlorooctane 11.47
    1-chlorotetradecane 6.27
    n-nonane 1.77
    undecane 1.83
    tert-butylcyclohexane 4.45
    cyclooctane 2.31
    cyclopentanol 117.78
    tetrahydropyran 151.96
    tert-amyl methyl ether 41.22
    2,5,8-trioxanonane 164.91
    1-hexene 18.79
    2-isopropoxyethanol 84.48
    2,2,2-trifluoroethanol 119.02
    methyl butyrate 54.16

    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