The 1,3-Cyclohexanedione,5-phenyl-, with the CAS registry number 493-72-1, is also known as 5-Phenyl-1,3-cyclohexanedione. It belongs to the product categories of Miscellaneous; C₁₁ to C₁₂; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₁₂H₁₂O₂ and molecular weight is 188.22. What's more, its systematic name is 5-Phenylcyclohexane-1,3-dione. The product should be sealed and stored in containers which are placed in cool, ventilated and dry places. It should be protected from oxides. When using it, you should avoid contact with skin and eyes.

Physical properties of 1,3-Cyclohexanedione,5-phenyl- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): -1.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 52.37 cm³; (15)Molar Volume: 163.6 cm³; (16)Polarizability: 20.76×10^-24 cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 60.18 kJ/mol; (21)Boiling Point: 356.5 °C at 760 mmHg; (22)Vapour Pressure: 2.91E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-phenyl-but-3-en-2-one and malonic acid diethyl ester. This reaction will need reagent Na-ethoxide and solvent ethanol. The yield is about 97.1%.

Uses of 1,3-Cyclohexanedione,5-phenyl-: it can be used to produce 3-chloro-5-phenyl-cyclohex-2-enone by being slowly heated to boiling. It will need reagent oxalyl chloride and solvent CHCl₃ with the reaction time of 2 hours. The yield is about 59%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CC(c1ccccc1)CC(=O)C2
(2)InChI: InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
(3)InChIKey: UPPYKNLSSLIIAZ-UHFFFAOYSA-N