Ethyl 2-oxocyclopentanecarboxylate

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  • Identifiers

    CAS number
    611-10-9

    Molecular formula
    C8H12O3

    SMILES
    CCOC(=O)C1CCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 88.32%
    Caramellic 53.99%
    Apple 42.93%
    Floral 42.58%
    Sweet 40.5%
    Winey 39.29%
    Green 37.44%
    Berry 33.98%
    Tropical 29.26%
    Herbal 28.18%

     

    Flavor
    Fruity 60.56%
    Grape 29.82%
    Fruit 29.65%
    Strawberry 26.72%
    Pineapple 25.95%
    Buttery 25.9%
    Sweet 25.75%
    Bitter 25.65%
    Cheese 25.59%
    Berry 25.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.29 (neutral)

    Molecular weight
    156.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 94.44 ˚C est.

  • Synonyms

    • Ethyl 2-oxocyclopentanecarboxylate
    • 611-10-9
    • DTXSID80871790
    • RefChem:138631
    • DTXCID20819414
    • 210-253-0
    • ethyl 2-oxocyclopentane-1-carboxylate
    • 2-Carbethoxycyclopentanone
    • Ethyl cyclopentanone-2-carboxylate
    • MFCD00001412
    • Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester
    • Ethyl 2-oxo-1-cyclopentanecarboxylate
    • 2-(Ethoxycarbonyl)cyclopentanone
    • Ethyl 2-cyclopentanonecarboxylate
    • Cyclopentanone-2-carboxylic acid ethyl ester
    • .alpha.-(Carboethoxy)cyclopentanone
    • 2-Carboethoxycyclopentanone
    • 2-Ethoxycarbonylcyclopentanone
    • 2-Carbethoxy-1-cyclopentanone
    • 2-Oxocyclopentanecarboxylic acid ethyl ester
    • Ethyl 2-oxoocyclopentanecarboxylate
    • Ethyl 2-cyclopentanone-1-carboxylate
    • 2-Cyclopentanonecarboxylic acid ethyl ester
    • 2-Oxo-cyclopentanecarboxylic acid ethyl ester
    • Ethyl ester of 2-oxocyclopentanecarboxylic acid
    • ethyl2-oxocyclopentanecarboxylate
    • Enamine_005519
    • 2-(ETHOXYCARBONYL)CYCLOPETNANONE
    • ethyl-2-oxocyclopentanecarboxylate
    • EINECS 210-253-0
    • AI3-07005
    • 2 -carbethoxycyclopentanone
    • 1-Oxocyclopentane-2-carboxylic acid ethyl ester
    • SCHEMBL321283
    • 2-ethoxycarbonyl cyclopentanone
    • 2-ethoxycarbonyl-cyclopentanone
    • 1-carboethoxycyclopentan-2-one
    • CHEMBL3747058
    • ethyl cyclopentanon-2-carboxylate
    • NSC5658
    • HMS1409K19
    • ethyl 2-oxo-cyclopentanecarboxylate
    • ethyl 2-oxocyclopentane carboxylate
    • ethyl 2-oxocyclopentanecarboxy late
    • ethyl-2-oxocyclopentane carboxylate
    • BB_SC-05422
    • CS-D1430
    • NSC 5658
    • NSC-5658
    • NSC22055
    • STR00828
    • 2-(Ethoxycarbonyl)-1-cyclopentanone
    • BBL020099
    • NSC-22055
    • SBB048123
    • STK503802
    • TD8086
    • AKOS001050245
    • AKOS016043538
    • AC-5603
    • FE03363
    • PB43147
    • Ethyl 2-oxocyclopentanecarboxylate, 95%
    • SY004452
    • 2-oxocyclopentylcarboxylic acid ethyl ester
    • DB-029739
    • 2-oxo-cyclopentylcarboxylic acid ethyl ester
    • B0268
    • NS00042379
    • ST50308635
    • EN300-17283
    • 2-oxo-cyclopentane-1-carboxylic acid ethyl ester
    • F078870
    • Z56907444
    • F1920-0006
    • Ethyl 2-oxocyclopentanecarboxylate, purum, >=97.0% (GC)
    • 2-(Ethoxycarbonyl)cyclopentanone, Ethyl cyclopentanone-2-carboxylate
    • InChI=1/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H
    • 611-10-9

  • Applications

    Ethyl 2-oxocyclopentanecarboxylate (CAS 611-10-9) is a versatile beta-keto ester widely used as an intermediate in organic synthesis. In pharmaceutical and fine-chemical manufacturing, it serves as a building block for cyclopentane-based scaffolds and for the construction of heterocycles and fused-ring systems. It also functions as an enolate donor/active methylene component in Knoevenagel and Michael-type condensations, enabling efficient routes to complex intermediates. Additional applications include use as a precursor in asymmetric synthesis and as a starting point for agrochemical libraries, supporting diverse industrial syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 513.1
    methanol 828.88
    isopropanol 430.51
    water 11.74
    ethyl acetate 316.2
    n-propanol 400.1
    acetone 595.09
    n-butanol 361.26
    acetonitrile 632.4
    DMF 1144.02
    toluene 186.22
    isobutanol 320.3
    1,4-dioxane 578.6
    methyl acetate 379.69
    THF 670.46
    2-butanone 393.81
    n-pentanol 305.51
    sec-butanol 372.02
    n-hexane 23.04
    ethylene glycol 216.5
    NMP 1068.77
    cyclohexane 53.81
    DMSO 957.76
    n-butyl acetate 237.2
    n-octanol 215.11
    chloroform 2009.05
    n-propyl acetate 250.37
    acetic acid 1122.01
    dichloromethane 1870.4
    cyclohexanone 678.81
    propylene glycol 265.08
    isopropyl acetate 196.43
    DMAc 849.94
    2-ethoxyethanol 377.58
    isopentanol 303.74
    n-heptane 19.0
    ethyl formate 394.96
    1,2-dichloroethane 732.99
    n-hexanol 264.12
    2-methoxyethanol 632.33
    isobutyl acetate 153.5
    tetrachloromethane 164.43
    n-pentyl acetate 193.2
    transcutol 803.36
    n-heptanol 143.04
    ethylbenzene 156.23
    MIBK 208.01
    2-propoxyethanol 393.88
    tert-butanol 486.51
    MTBE 212.65
    2-butoxyethanol 228.4
    propionic acid 545.02
    o-xylene 169.09
    formic acid 372.3
    diethyl ether 171.59
    m-xylene 157.75
    p-xylene 227.61
    chlorobenzene 478.46
    dimethyl carbonate 208.15
    n-octane 13.37
    formamide 463.56
    cyclopentanone 762.42
    2-pentanone 287.54
    anisole 347.19
    cyclopentyl methyl ether 276.49
    gamma-butyrolactone 1007.58
    1-methoxy-2-propanol 439.23
    pyridine 680.77
    3-pentanone 230.54
    furfural 1072.32
    n-dodecane 19.59
    diethylene glycol 393.19
    diisopropyl ether 65.74
    tert-amyl alcohol 369.57
    acetylacetone 418.31
    n-hexadecane 21.8
    acetophenone 394.58
    methyl propionate 312.09
    isopentyl acetate 208.99
    trichloroethylene 1670.05
    n-nonanol 169.83
    cyclohexanol 373.73
    benzyl alcohol 371.87
    2-ethylhexanol 143.73
    isooctanol 120.6
    dipropyl ether 112.56
    1,2-dichlorobenzene 486.7
    ethyl lactate 211.75
    propylene carbonate 630.53
    n-methylformamide 622.14
    2-pentanol 228.92
    n-pentane 23.36
    1-propoxy-2-propanol 258.0
    1-methoxy-2-propyl acetate 244.4
    2-(2-methoxypropoxy) propanol 289.35
    mesitylene 109.52
    ε-caprolactone 599.43
    p-cymene 101.63
    epichlorohydrin 854.91
    1,1,1-trichloroethane 668.94
    2-aminoethanol 335.95
    morpholine-4-carbaldehyde 803.95
    sulfolane 1209.51
    2,2,4-trimethylpentane 23.76
    2-methyltetrahydrofuran 426.42
    n-hexyl acetate 345.59
    isooctane 18.23
    2-(2-butoxyethoxy)ethanol 352.39
    sec-butyl acetate 157.54
    tert-butyl acetate 220.52
    decalin 40.27
    glycerin 378.53
    diglyme 580.7
    acrylic acid 617.03
    isopropyl myristate 128.51
    n-butyric acid 549.24
    acetyl acetate 290.74
    di(2-ethylhexyl) phthalate 157.01
    ethyl propionate 234.49
    nitromethane 1285.41
    1,2-diethoxyethane 211.68
    benzonitrile 590.16
    trioctyl phosphate 115.5
    1-bromopropane 343.3
    gamma-valerolactone 902.47
    n-decanol 124.11
    triethyl phosphate 128.85
    4-methyl-2-pentanol 142.36
    propionitrile 455.76
    vinylene carbonate 696.03
    1,1,2-trichlorotrifluoroethane 772.44
    DMS 266.87
    cumene 121.27
    2-octanol 125.46
    2-hexanone 251.86
    octyl acetate 177.36
    limonene 133.71
    1,2-dimethoxyethane 559.79
    ethyl orthosilicate 110.18
    tributyl phosphate 133.38
    diacetone alcohol 311.74
    N,N-dimethylaniline 242.47
    acrylonitrile 692.11
    aniline 322.38
    1,3-propanediol 410.11
    bromobenzene 505.71
    dibromomethane 1073.93
    1,1,2,2-tetrachloroethane 1235.37
    2-methyl-cyclohexyl acetate 196.38
    tetrabutyl urea 189.37
    diisobutyl methanol 93.07
    2-phenylethanol 274.91
    styrene 215.91
    dioctyl adipate 210.23
    dimethyl sulfate 372.58
    ethyl butyrate 208.99
    methyl lactate 264.58
    butyl lactate 200.65
    diethyl carbonate 188.07
    propanediol butyl ether 315.38
    triethyl orthoformate 138.08
    p-tert-butyltoluene 93.96
    methyl 4-tert-butylbenzoate 316.57
    morpholine 578.78
    tert-butylamine 269.97
    n-dodecanol 97.25
    dimethoxymethane 410.06
    ethylene carbonate 506.2
    cyrene 340.21
    2-ethoxyethyl acetate 235.25
    2-ethylhexyl acetate 154.47
    1,2,4-trichlorobenzene 554.28
    4-methylpyridine 631.12
    dibutyl ether 145.77
    2,6-dimethyl-4-heptanol 93.07
    DEF 425.26
    dimethyl isosorbide 419.29
    tetrachloroethylene 706.6
    eugenol 316.58
    triacetin 348.82
    span 80 270.92
    1,4-butanediol 240.77
    1,1-dichloroethane 773.56
    2-methyl-1-pentanol 281.27
    methyl formate 537.58
    2-methyl-1-butanol 286.01
    n-decane 28.05
    butyronitrile 442.33
    3,7-dimethyl-1-octanol 182.05
    1-chlorooctane 132.47
    1-chlorotetradecane 57.66
    n-nonane 26.21
    undecane 22.5
    tert-butylcyclohexane 35.2
    cyclooctane 16.29
    cyclopentanol 463.33
    tetrahydropyran 393.97
    tert-amyl methyl ether 171.5
    2,5,8-trioxanonane 444.46
    1-hexene 105.81
    2-isopropoxyethanol 257.55
    2,2,2-trifluoroethanol 346.21
    methyl butyrate 345.34

    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
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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