Welcome to LookChem.com Sign In|Join Free

Product Name

  • or
Home > Products > 

Ethyl 2-oxocyclohexanecarboxylate

  • Name Ethyl 2-oxocyclohexanecarboxylate
  • EINECS216-731-5
  • CAS No. 1655-07-8
  • Density1.083 g/cm3
  • PSA43.37000
  • LogP1.30880
  • SolubilitySoluble in water.
  • Melting Point101 °C
  • FormulaC9H14O3
  • Boiling Point230.687 °C at 760 mmHg
  • Molecular Weight170.208
  • Flash Point85 °C
  • Transport InformationN/A
  • AppearanceClear colorless to pale yellow liquid
  • Safety23-24/25-37/39-26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 1655-07-8 (Ethyl 2-oxocyclohexanecarboxylate)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data79

Ethyl 2-oxocyclohexanecarboxylate Specification

The Ethyl 2-oxocyclohexanecarboxylate, with the CAS registry number 1655-07-8, is also known as Ethyl 2-cyclohexanonecarboxylate. It belongs to the product category of API Intermediates. Its EINECS registry number is 216-731-5. This chemical's molecular formula is C9H14O3 and molecular weight is 170.21. What's more, its IUPAC name is called Ethyl 2-oxocyclohexane-1-carboxylate. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Ethyl 2-oxocyclohexanecarboxylate are: (1)ACD/LogP: 0.788; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.34; (6)ACD/BCF (pH 7.4): 2.34; (7)ACD/KOC (pH 5.5): 63.91; (8)ACD/KOC (pH 7.4): 63.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 43.384 cm3; (15)Molar Volume: 157.071 cm3; (16)Polarizability: 17.199×10-24cm3; (17)Surface Tension: 37.83 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 46.733 kJ/mol; (21)Boiling Point: 230.687 °C at 760 mmHg; (22)Vapour Pressure: 0.065 mmHg at 25 °C.

Preparation of Ethyl 2-oxocyclohexanecarboxylate: this chemical can be prepared heptanedioic acid diethyl ester. This reaction needs reagents sodium and absolute alcohol at temperature of 120-140 °C.

Ethyl 2-oxocyclohexanecarboxylate can be prepared heptanedioic acid diethyl ester.

Uses of Ethyl 2-oxocyclohexanecarboxylate: it is used to produce other chemicals. For example, it can react with 4-methyl-aniline to get 2-oxo-cyclohexanecarboxylic acid p-toluidide. The reaction occurs with reagent DMAP and other condition of heating for 20 hours. The yield is 70 %.

Ethyl 2-oxocyclohexanecarboxylate can react with 4-methyl-aniline to get 2-oxo-cyclohexanecarboxylic acid p-toluidide.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection to avoid contacting with skin and eyes. You can not breathe the gas/fumes/vapour/spray. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCCCC1C(=O)OCC
(2) InChI: InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
(3) InChIKey: FGSGHBPKHFDJOP-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 1655-07-8
Related Products

Hot Products

Post a RFQ