2,4,6-Trimethylbenzophenone

The 2,4,6-Trimethylbenzophenone, with the CAS registry number 954-16-5 and EINECS registry number 403-150-9, has the systematic name of phenyl(2,4,6-trimethylphenyl)methanone. And the molecular formula of this chemical is C₁₆H₁₆O. It belongs to the following product categories: Aromatic Benzophenones & Derivatives (substituted).

The physical properties of 2,4,6-Trimethylbenzophenone are as following: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 1720.97; (6)ACD/BCF (pH 7.4): 1720.97; (7)ACD/KOC (pH 5.5): 7207.17; (8)ACD/KOC (pH 7.4): 7207.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 70.52 cm³; (15)Molar Volume: 216.3 cm³; (16)Polarizability: 27.95×10^-24cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.036 g/cm³; (19)Flash Point: 131.2 °C; (20)Enthalpy of Vaporization: 55.62 kJ/mol; (21)Boiling Point: 315 °C at 760 mmHg; (22)Vapour Pressure: 0.000449 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, and it is harmful if swallowed. WHat's more, it is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(cc1C)C)C)c2ccccc2
(2)InChI: InChI=1/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
(3)InChIKey: HPAFOABSQZMTHE-UHFFFAOYAQ