Basic information
- Name:
Cyclooctanecarboxylicacid, 2-oxo-, ethyl ester
- CAS No.:
4017-56-5
- Molecular Structure:
- Formula:
- C11H18O3
- Molecular Weight:
- 198.26
- Synonyms:
- 2-Carbethoxycyclooctanone;2-Oxocyclooctanecarboxylic acid ethyl ester;Ethyl1-cyclooctanone-2-carboxylate;Ethyl 2-cyclooctanonecarboxylate;Ethyl2-oxocyclooctanecarboxylate;NSC 125577;NSC 18993;
- Density:
- 1.029 g/cm3
- Boiling Point:
- 287.9 °C at 760 mmHg
- Flash Point:
- 122.7 °C
- Safety Description:
- 24/25 Details
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Specification
The CAS register number of Cyclooctanecarboxylicacid, 2-oxo-, ethyl ester is 4017-56-5. It also can be called as 2-Oxocyclooctanecarboxylic acid ethyl ester and the IUPAC name about this chemical is ethyl 2-oxocyclooctane-1-carboxylate. The molecular formula about this chemical is C11H18O3 and the molecular weight is 198.26. It belongs to the following product categories which include C10 to C11; Carbonyl Compounds; Esters and so on. When you are using it, please avoid contact with skin and eyes.
Physical properties about Cyclooctanecarboxylicacid, 2-oxo-, ethyl ester are: (1)ACD/LogP: 1.95; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 43.37Å2; (5)Index of Refraction: 1.458; (6)Molar Refractivity: 52.6 cm3; (7)Molar Volume: 192.5 cm3; (8)Polarizability: 20.85x10-24cm3; (9)Surface Tension: 35.4 dyne/cm; (10)Flash Point: 122.7 °C; (11)Enthalpy of Vaporization: 52.71 kJ/mol; (12)Boiling Point: 287.9 °C at 760 mmHg; (13)Vapour Pressure: 0.00242 mmHg at 25°C.
Preparation: this chemical can be prepared by carbonic acid diethyl ester and cyclooctanone. This reaction will need reagent NaH.
Uses of Cyclooctanecarboxylicacid, 2-oxo-, ethyl ester: it can be used to produce2-phenyl-5,6,7,8,9,10-hexahydro-3H-cyclooctapyrimidin-4-one with benzamidine; hydrochloride at heating. This reaction will need reagent NaOEt and solvent ethanol with reaction time of 4 hours. The yield is about 48%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCCCC1C(=O)OCC
(2)InChI: InChI=1/C11H18O3/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h9H,2-8H2,1H3
(3)InChIKey: OJCDCHCBNASPBS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H18O3/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h9H,2-8H2,1H3
(5)Std. InChIKey: OJCDCHCBNASPBS-UHFFFAOYSA-N