3-Pyridyl acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    17747-43-2

    Molecular formula
    C7H7NO2

    SMILES
    CC(=O)OC1=CN=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 43.02%
    Burnt 41.69%
    Nutty 40.79%
    Fruity 35.32%
    Roasted 35.19%
    Animal 32.78%
    Floral 32.56%
    Woody 28.25%
    Aromatic 27.94%
    Odorless 27.85%

     

    Flavor
    Sweet 71.65%
    Woody 45.55%
    Tobacco 36.81%
    Powdery 33.03%
    Floral 32.4%
    Phenolic 29.58%
    Balsam 28.22%
    Nutty 28.06%
    Spice 27.5%
    Musty 27.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    5.16 (weak acid)

    Molecular weight
    137.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 104.87 ˚C est.

  • Synonyms

    • 3-Pyridyl acetate
    • EINECS 241-742-7
    • NSC-273047
    • AI3-52430
    • 9E55385Q47
    • DTXSID20170315
    • NSC 273047
    • RefChem:505241
    • DTXCID7092806
    • 241-742-7
    • pyridin-3-yl acetate
    • 3-Acetoxypyridine
    • 17747-43-2
    • 3-Pyridinol, 3-acetate
    • MFCD00006377
    • 3-Pyridinol, acetate (ester)
    • 3-acetoxy pyridine
    • 3-Hydroxypyridine monoacetate
    • UNII-9E55385Q47
    • 3-Pyridinol, acetate
    • 3-Pyridinyl acetate #
    • 3-Acetoxypyridine, 99%
    • SCHEMBL909511
    • orb3023357
    • SCHEMBL6544881
    • SCHEMBL9479674
    • SCHEMBL9479712
    • SCHEMBL9565016
    • SCHEMBL29655599
    • ALBB-021947
    • NSC273047
    • AKOS015892100
    • SB52575
    • AS-57742
    • SY049792
    • DB-044300
    • A1210
    • CS-0196423
    • NS00025853
    • D88394
    • F242826
    • Q27272432
    • InChI=1/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H
    • 17747-43-2

  • Applications

    3-Pyridyl acetate (CAS 17747-43-2) is primarily used as an intermediate in organic synthesis. In industry, it commonly serves as a building block for 3-pyridyl-containing derivatives, enabling the preparation of pharmaceutical and agrochemical intermediates. It can function as a precursor to more complex heteroaryl compounds in medicinal chemistry and related fields. In the fragrance and cosmetics arenas, it is viewed as a component or precursor that may contribute to pyridine-like notes. In cosmetics/personal care, it can be used in formulation research or as a fragrance ingredient intermediary. The practical applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 162.06
    methanol 275.84
    isopropanol 94.56
    water 26.22
    ethyl acetate 119.1
    n-propanol 99.27
    acetone 166.49
    n-butanol 77.29
    acetonitrile 192.9
    DMF 485.17
    toluene 50.39
    isobutanol 67.93
    1,4-dioxane 227.06
    methyl acetate 144.03
    THF 193.7
    2-butanone 105.72
    n-pentanol 60.06
    sec-butanol 70.68
    n-hexane 7.87
    ethylene glycol 104.53
    NMP 359.27
    cyclohexane 12.89
    DMSO 497.74
    n-butyl acetate 42.51
    n-octanol 39.33
    chloroform 125.08
    n-propyl acetate 50.87
    acetic acid 189.23
    dichloromethane 201.64
    cyclohexanone 117.06
    propylene glycol 64.49
    isopropyl acetate 48.98
    DMAc 506.25
    2-ethoxyethanol 152.25
    isopentanol 53.46
    n-heptane 8.55
    ethyl formate 119.13
    1,2-dichloroethane 113.77
    n-hexanol 47.78
    2-methoxyethanol 281.51
    isobutyl acetate 28.14
    tetrachloromethane 14.54
    n-pentyl acetate 30.6
    transcutol 257.22
    n-heptanol 24.92
    ethylbenzene 33.79
    MIBK 42.81
    2-propoxyethanol 121.76
    tert-butanol 99.87
    MTBE 59.28
    2-butoxyethanol 57.13
    propionic acid 106.12
    o-xylene 47.91
    formic acid 151.82
    diethyl ether 88.21
    m-xylene 38.36
    p-xylene 44.79
    chlorobenzene 62.47
    dimethyl carbonate 85.57
    n-octane 4.04
    formamide 191.8
    cyclopentanone 134.51
    2-pentanone 73.7
    anisole 91.07
    cyclopentyl methyl ether 86.25
    gamma-butyrolactone 197.96
    1-methoxy-2-propanol 156.81
    pyridine 138.45
    3-pentanone 75.71
    furfural 249.37
    n-dodecane 5.72
    diethylene glycol 145.05
    diisopropyl ether 20.11
    tert-amyl alcohol 74.86
    acetylacetone 99.26
    n-hexadecane 6.21
    acetophenone 83.29
    methyl propionate 128.06
    isopentyl acetate 35.01
    trichloroethylene 163.28
    n-nonanol 35.51
    cyclohexanol 65.22
    benzyl alcohol 79.67
    2-ethylhexanol 31.85
    isooctanol 21.4
    dipropyl ether 47.55
    1,2-dichlorobenzene 64.15
    ethyl lactate 53.64
    propylene carbonate 110.98
    n-methylformamide 229.66
    2-pentanol 41.02
    n-pentane 8.45
    1-propoxy-2-propanol 72.99
    1-methoxy-2-propyl acetate 71.19
    2-(2-methoxypropoxy) propanol 91.19
    mesitylene 24.45
    ε-caprolactone 113.37
    p-cymene 23.99
    epichlorohydrin 197.47
    1,1,1-trichloroethane 64.47
    2-aminoethanol 119.75
    morpholine-4-carbaldehyde 348.81
    sulfolane 249.87
    2,2,4-trimethylpentane 5.45
    2-methyltetrahydrofuran 123.04
    n-hexyl acetate 53.9
    isooctane 3.03
    2-(2-butoxyethoxy)ethanol 108.64
    sec-butyl acetate 30.78
    tert-butyl acetate 44.56
    decalin 9.32
    glycerin 117.5
    diglyme 194.44
    acrylic acid 117.74
    isopropyl myristate 28.54
    n-butyric acid 93.9
    acetyl acetate 74.08
    di(2-ethylhexyl) phthalate 38.21
    ethyl propionate 69.25
    nitromethane 284.94
    1,2-diethoxyethane 75.93
    benzonitrile 95.61
    trioctyl phosphate 25.83
    1-bromopropane 60.11
    gamma-valerolactone 207.68
    n-decanol 29.32
    triethyl phosphate 39.57
    4-methyl-2-pentanol 23.52
    propionitrile 119.1
    vinylene carbonate 139.22
    1,1,2-trichlorotrifluoroethane 150.68
    DMS 70.11
    cumene 27.24
    2-octanol 19.48
    2-hexanone 47.97
    octyl acetate 37.07
    limonene 31.29
    1,2-dimethoxyethane 267.82
    ethyl orthosilicate 35.64
    tributyl phosphate 33.2
    diacetone alcohol 66.82
    N,N-dimethylaniline 77.38
    acrylonitrile 173.05
    aniline 79.12
    1,3-propanediol 116.99
    bromobenzene 58.16
    dibromomethane 105.18
    1,1,2,2-tetrachloroethane 119.13
    2-methyl-cyclohexyl acetate 43.14
    tetrabutyl urea 50.95
    diisobutyl methanol 20.32
    2-phenylethanol 55.2
    styrene 41.79
    dioctyl adipate 48.39
    dimethyl sulfate 141.48
    ethyl butyrate 53.14
    methyl lactate 88.93
    butyl lactate 38.24
    diethyl carbonate 52.92
    propanediol butyl ether 67.31
    triethyl orthoformate 43.69
    p-tert-butyltoluene 22.01
    methyl 4-tert-butylbenzoate 68.69
    morpholine 207.75
    tert-butylamine 57.85
    n-dodecanol 24.69
    dimethoxymethane 241.31
    ethylene carbonate 103.84
    cyrene 93.33
    2-ethoxyethyl acetate 52.39
    2-ethylhexyl acetate 28.44
    1,2,4-trichlorobenzene 72.62
    4-methylpyridine 144.62
    dibutyl ether 40.95
    2,6-dimethyl-4-heptanol 20.32
    DEF 162.42
    dimethyl isosorbide 127.94
    tetrachloroethylene 72.44
    eugenol 76.05
    triacetin 71.94
    span 80 65.92
    1,4-butanediol 63.49
    1,1-dichloroethane 84.99
    2-methyl-1-pentanol 49.81
    methyl formate 203.13
    2-methyl-1-butanol 57.37
    n-decane 7.25
    butyronitrile 97.69
    3,7-dimethyl-1-octanol 37.66
    1-chlorooctane 22.2
    1-chlorotetradecane 13.52
    n-nonane 6.65
    undecane 6.31
    tert-butylcyclohexane 8.07
    cyclooctane 4.84
    cyclopentanol 77.47
    tetrahydropyran 118.37
    tert-amyl methyl ether 53.31
    2,5,8-trioxanonane 166.44
    1-hexene 25.7
    2-isopropoxyethanol 83.59
    2,2,2-trifluoroethanol 79.96
    methyl butyrate 80.98

    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