Ethyl 3-pyridylacetate

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  • Identifiers

    CAS number
    39931-77-6

    Molecular formula
    C9H11NO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 76.22%
    Sweet 50.88%
    Floral 50.83%
    Honey 39.84%
    Caramellic 37.45%
    Nutty 32.96%
    Berry 30.9%
    Tobacco 29.38%
    Winey 29.11%
    Animal 28.45%

     

    Flavor
    Fruity 70.37%
    Sweet 66.86%
    Floral 54.56%
    Balsam 37.97%
    Grape 32.94%
    Chocolate 30.9%
    Honey 30.65%
    Berry 30.27%
    Strawberry 30.08%
    Bitter 29.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    5.03 (weak acid)

    Molecular weight
    165.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 116.83 ˚C est.

  • Synonyms

    • Ethyl 3-pyridylacetate
    • ethyl 2-(pyridin-3-yl)acetate
    • Ethyl 3-pyridineacetate
    • 3-Pyridineacetic acid, ethyl ester
    • Ethyl 3-pyridinylacetate
    • EA77BEX7VQ
    • EINECS 254-707-6
    • NSC 76091
    • BRN 0123827
    • pyridin-3-ylacetic acid ethyl ester
    • UNII-EA77BEX7VQ
    • NSC-76091
    • (3-PYRIDYL)ACETIC ACID ETHYL ESTER
    • DTXSID50192984
    • 5-22-02-00315 (Beilstein Handbook Reference)
    • 2-(PYRIDIN-3-YL)ACETIC ACID ETHYL ESTER
    • RefChem:138721
    • DTXCID90115475
    • 254-707-6
    • RPWXYCRIAGBAGY-UHFFFAOYSA-N
    • 39931-77-6
    • ethyl 2-pyridin-3-ylacetate
    • Pyridin-3-yl-acetic acid ethyl ester
    • MFCD00006411
    • Ethyl (pyridin-3-yl)acetate
    • Acetic acid, 2-(3-pyridyl)-, ethyl ester
    • ethyl 2-(3-pyridyl)acetate
    • 3-Pyridylacetic Acid Ethyl Ester
    • 3-Pyridineacetic Acid Ethyl Ester
    • pyridine-3-acetic acid ethyl ester
    • ethyl-3-pyridyl-acetate
    • ethyl pyridine-3-acetate
    • ethyl pyridin-3-ylacetate
    • Ethyl 3-pyridinylacetate #
    • ethyl-3-PYRIDYLACETATE
    • SCHEMBL701469
    • Ethyl 3-pyridylacetate, 99%
    • orb3030367
    • SCHEMBL1854440
    • SCHEMBL8133474
    • SCHEMBL30225124
    • NSC76091
    • STR04163
    • SBB058276
    • TD8046
    • AKOS005207148
    • CS-W002001
    • FE40765
    • FG-0454
    • HY-W002001
    • SB37029
    • 2-pyridin-3-yl-acetic acid ethyl ester
    • SY021549
    • DB-049505
    • E0874
    • NS00030688
    • ST50308269
    • EN300-130773
    • 931E776
    • F093980
    • Z982129808
    • 39931-77-6

  • Applications

    Ethyl 3-pyridylacetate is used primarily as an odorant in perfumery and fragrance formulations, providing a pyridine-like note and functioning as a building block in aroma compound libraries; in cosmetics and personal care, it is employed as a fragrance ingredient; in household products, it can be added to detergents, cleaners, and air fresheners as a fragrance component; in coatings and inks, it serves as a fragrance additive or scent release agent; in industrial manufacturing, it acts as an intermediate for synthesizing pyridine-containing chemicals and related derivatives; and in research and development, it may be evaluated as a synthetic building block to expand heteroaryl compound portfolios.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 268.05
    methanol 437.52
    isopropanol 129.64
    water 6.27
    ethyl acetate 128.98
    n-propanol 150.7
    acetone 154.89
    n-butanol 136.92
    acetonitrile 223.57
    DMF 565.78
    toluene 80.79
    isobutanol 105.01
    1,4-dioxane 272.47
    methyl acetate 125.43
    THF 235.56
    2-butanone 117.35
    n-pentanol 97.51
    sec-butanol 100.84
    n-hexane 3.5
    ethylene glycol 109.98
    NMP 387.86
    cyclohexane 7.94
    DMSO 619.61
    n-butyl acetate 80.51
    n-octanol 27.1
    chloroform 504.11
    n-propyl acetate 65.09
    acetic acid 497.57
    dichloromethane 555.35
    cyclohexanone 208.19
    propylene glycol 94.02
    isopropyl acetate 61.76
    DMAc 568.63
    2-ethoxyethanol 182.95
    isopentanol 105.18
    n-heptane 2.83
    ethyl formate 115.15
    1,2-dichloroethane 261.27
    n-hexanol 68.0
    2-methoxyethanol 321.94
    isobutyl acetate 45.26
    tetrachloromethane 29.0
    n-pentyl acetate 35.84
    transcutol 598.65
    n-heptanol 24.77
    ethylbenzene 35.64
    MIBK 51.32
    2-propoxyethanol 139.22
    tert-butanol 147.99
    MTBE 69.29
    2-butoxyethanol 71.38
    propionic acid 184.08
    o-xylene 52.17
    formic acid 305.7
    diethyl ether 73.95
    m-xylene 48.94
    p-xylene 51.91
    chlorobenzene 128.63
    dimethyl carbonate 62.81
    n-octane 1.29
    formamide 343.46
    cyclopentanone 200.29
    2-pentanone 78.92
    anisole 102.76
    cyclopentyl methyl ether 95.79
    gamma-butyrolactone 267.29
    1-methoxy-2-propanol 171.44
    pyridine 323.46
    3-pentanone 72.37
    furfural 350.44
    n-dodecane 1.86
    diethylene glycol 161.45
    diisopropyl ether 15.49
    tert-amyl alcohol 110.93
    acetylacetone 112.27
    n-hexadecane 2.13
    acetophenone 104.74
    methyl propionate 106.33
    isopentyl acetate 73.51
    trichloroethylene 543.6
    n-nonanol 25.35
    cyclohexanol 116.58
    benzyl alcohol 116.77
    2-ethylhexanol 39.78
    isooctanol 21.63
    dipropyl ether 32.46
    1,2-dichlorobenzene 120.32
    ethyl lactate 53.61
    propylene carbonate 157.08
    n-methylformamide 247.75
    2-pentanol 59.86
    n-pentane 3.39
    1-propoxy-2-propanol 82.96
    1-methoxy-2-propyl acetate 88.27
    2-(2-methoxypropoxy) propanol 107.08
    mesitylene 25.81
    ε-caprolactone 167.14
    p-cymene 22.83
    epichlorohydrin 305.41
    1,1,1-trichloroethane 140.73
    2-aminoethanol 167.71
    morpholine-4-carbaldehyde 328.66
    sulfolane 331.55
    2,2,4-trimethylpentane 4.05
    2-methyltetrahydrofuran 155.38
    n-hexyl acetate 57.72
    isooctane 2.29
    2-(2-butoxyethoxy)ethanol 135.83
    sec-butyl acetate 44.95
    tert-butyl acetate 59.84
    decalin 7.0
    glycerin 165.6
    diglyme 238.57
    acrylic acid 203.2
    isopropyl myristate 24.52
    n-butyric acid 214.42
    acetyl acetate 105.22
    di(2-ethylhexyl) phthalate 42.01
    ethyl propionate 62.49
    nitromethane 501.76
    1,2-diethoxyethane 102.42
    benzonitrile 147.1
    trioctyl phosphate 23.78
    1-bromopropane 102.38
    gamma-valerolactone 283.81
    n-decanol 19.55
    triethyl phosphate 42.14
    4-methyl-2-pentanol 34.94
    propionitrile 152.98
    vinylene carbonate 180.77
    1,1,2-trichlorotrifluoroethane 287.48
    DMS 81.17
    cumene 26.48
    2-octanol 16.0
    2-hexanone 62.86
    octyl acetate 32.54
    limonene 31.16
    1,2-dimethoxyethane 228.27
    ethyl orthosilicate 37.67
    tributyl phosphate 35.12
    diacetone alcohol 92.83
    N,N-dimethylaniline 75.89
    acrylonitrile 226.8
    aniline 159.38
    1,3-propanediol 188.47
    bromobenzene 125.37
    dibromomethane 284.82
    1,1,2,2-tetrachloroethane 385.99
    2-methyl-cyclohexyl acetate 58.85
    tetrabutyl urea 49.53
    diisobutyl methanol 22.96
    2-phenylethanol 83.53
    styrene 54.08
    dioctyl adipate 50.89
    dimethyl sulfate 120.99
    ethyl butyrate 62.56
    methyl lactate 83.1
    butyl lactate 47.06
    diethyl carbonate 57.22
    propanediol butyl ether 83.48
    triethyl orthoformate 48.83
    p-tert-butyltoluene 20.78
    methyl 4-tert-butylbenzoate 73.44
    morpholine 301.87
    tert-butylamine 73.18
    n-dodecanol 15.88
    dimethoxymethane 169.98
    ethylene carbonate 142.86
    cyrene 110.93
    2-ethoxyethyl acetate 68.81
    2-ethylhexyl acetate 54.41
    1,2,4-trichlorobenzene 145.33
    4-methylpyridine 262.16
    dibutyl ether 33.84
    2,6-dimethyl-4-heptanol 22.96
    DEF 165.52
    dimethyl isosorbide 153.77
    tetrachloroethylene 229.19
    eugenol 87.86
    triacetin 82.41
    span 80 76.22
    1,4-butanediol 82.15
    1,1-dichloroethane 197.85
    2-methyl-1-pentanol 89.93
    methyl formate 157.64
    2-methyl-1-butanol 101.56
    n-decane 2.53
    butyronitrile 148.63
    3,7-dimethyl-1-octanol 33.68
    1-chlorooctane 15.35
    1-chlorotetradecane 7.74
    n-nonane 2.11
    undecane 2.1
    tert-butylcyclohexane 5.74
    cyclooctane 2.23
    cyclopentanol 117.51
    tetrahydropyran 167.32
    tert-amyl methyl ether 57.4
    2,5,8-trioxanonane 185.19
    1-hexene 23.05
    2-isopropoxyethanol 98.17
    2,2,2-trifluoroethanol 140.99
    methyl butyrate 88.6

    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