Cas no 4354-49-8 (2-Cyclohexyl-2-oxoacetic acid)

2-Cyclohexyl-2-oxoacetic acid is a cyclic keto acid derivative characterized by its cyclohexyl substituent and reactive oxoacetic acid functional group. This compound is of interest in organic synthesis due to its versatility as a building block for pharmaceuticals, agrochemicals, and specialty chemicals. The cyclohexyl moiety enhances lipophilicity, while the oxoacetic acid group enables further derivatization, including condensations and nucleophilic additions. Its stable cyclic structure offers improved handling compared to linear analogs. Applications include intermediates in heterocycle synthesis and chiral auxiliaries. The compound is typically supplied as a crystalline solid with high purity, ensuring consistent performance in synthetic workflows. Proper storage under anhydrous conditions is recommended to maintain stability.
2-Cyclohexyl-2-oxoacetic acid structure
2-Cyclohexyl-2-oxoacetic acid structure
Product Name:2-Cyclohexyl-2-oxoacetic acid
CAS No:4354-49-8
MF:C8H12O3
MW:156.1791
MDL:MFCD01318468
CID:929025
PubChem ID:78060
Update Time:2025-08-10

2-Cyclohexyl-2-oxoacetic acid Chemical and Physical Properties

Names and Identifiers

    • alpha-oxocyclohexaneacetic acid
    • 2-cyclohexyl-2-oxoacetic acid
    • 2-cyclohexyl-2-ketoethanoic acid
    • 2-cyclohexyl-2-oxoethanoic acid
    • Cyclohexaneacetic acid,R-oxo
    • cyclohexyl-2-oxoacetic acid
    • cyclohexyl-glyoxylic acid
    • cyclohexylglyoxylsaeure
    • EINECS 224-426-3
    • Cyclohexaneacetic acid,R-oxo-
    • cyclohexaneacetic acid, -oxo-
    • cyclohexyl(oxo)acetic acid
    • cyclohexylglyoxylic acid
    • cyclohexyloxoacetic acid
    • 2-oxo-2-cyclohexylacetic acid
    • IMCSZGFLUYCDOG-UHFFFAOYSA-N
    • 2-(Cyclohexyl)-2-oxoacetic acid
    • Cyclohexaneacetic acid, alpha-oxo-
    • SY100456
    • C
    • a-oxocyclohexaneacetic acid
    • CS-0049632
    • AS-50423
    • DTXCID30118364
    • CYCLOHEXANEACETIC ACID, .ALPHA.-OXO-
    • UNII-6FDP7R48PM
    • DTXSID90195873
    • EN300-267735
    • SCHEMBL2650157
    • 2-Cyclohexyl-2-oxo-acetic acid
    • 4354-49-8
    • MFCD01318468
    • 6FDP7R48PM
    • P10174
    • DA-05863
    • NS00031350
    • AKOS022635492
    • 2-cyclohexyl-2-oxoaceticacid
    • 2-Cyclohexyl-2-oxoacetic acid
    • MDL： MFCD01318468
    • Inchi： 1S/C8H12O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,11)
    • InChI Key： IMCSZGFLUYCDOG-UHFFFAOYSA-N
    • SMILES： O=C(C(=O)O[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]

Computed Properties

  • Exact Mass: 156.07900
  • Monoisotopic Mass: 156.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.8
  • Topological Polar Surface Area: 54.4

Experimental Properties

  • PSA: 54.37000
  • LogP: 1.22040

2-Cyclohexyl-2-oxoacetic acid Customs Data

  • HS CODE：2918300090
  • Customs Data：

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

2-Cyclohexyl-2-oxoacetic acid Pricemore >>

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