Cyclooctanecarboxaldehyde (6688-11-5)

The Cyclooctanecarbaldehyde, with the CAS registry number 6688-11-5, is also known as Cyclooctanecarboxaldehyde. Its EINECS number is 229-732-0. This chemical's molecular formula is C₉H₁₆O and formula weight is 140.22. What's more, its IUPAC name is called cyclooctanecarbaldehyde.

Physical properties of Cyclooctanecarbaldehyde: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.59; (6)ACD/BCF (pH 7.4): 118.59; (7)ACD/KOC (pH 5.5): 1062.25; (8)ACD/KOC (pH 7.4): 1062.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 43.5 cm³; (14)Molar Volume: 148.5 cm³; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 0.944 g/cm³; (17)Flash Point: 67.2 °C; (18)Enthalpy of Vaporization: 44.36 kJ/mol; (19)Boiling Point: 207.3 °C at 760 mmHg; (20)Vapour Pressure: 0.227 mmHg at 25°C.

Preparation: this chemical can be prepared by C₁₀H₁₅O₃Na. This reaction will need reagent 10percent sulfuric acid. The yield is about 100%.

Uses of Cyclooctanecarbaldehyde: it can be used to produce cyclooctylmethylene-[1,2,4]triazol-4-yl-amine. This reaction will need solvent ethanol with reaction time of 30 min. The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It is irritating to eyes, respiratory system and skin. You should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCCC(CCC1)C=O
(2)InChI: InChI=1S/C9H16O/c10-8-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2
(3)InChIKey: IGGUWVNICWZJQU-UHFFFAOYSA-N