2,2,6,6-TETRAMETHYL-3,5-OCTANEDIONE

The 3,5-Octanedione,2,2,6,6-tetramethyl- is an organic compound with the formula C₁₂H₂₂O₂. The systematic name of this chemical is 4,4,5,5-tetramethyloctane-2,7-dione. With the CAS registry number 78579-61-0, it is also named as 2,7-Octanedione, 4,4,5,5-tetramethyl-.

Physical properties about 3,5-Octanedione,2,2,6,6-tetramethyl- are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.31; (5)ACD/BCF (pH 7.4): 11.31; (6)ACD/KOC (pH 5.5): 197.59; (7)ACD/KOC (pH 7.4): 197.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 34.14Ų; (11)Index of Refraction: 1.434; (12)Molar Refractivity: 57.63 cm³; (13)Molar Volume: 220.9 cm³; (14)Polarizability: 22.84×10^-24cm³; (15)Surface Tension: 28.3 dyne/cm; (16)Density: 0.897 g/cm³; (17)Flash Point: 110 °C; (18)Enthalpy of Vaporization: 53.45 kJ/mol; (19)Boiling Point: 294.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00158 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC(C(CC(=O)C)(C)C)(C)C)C
(2)InChI: InChI=1/C12H22O2/c1-9(13)7-11(3,4)12(5,6)8-10(2)14/h7-8H2,1-6H3
(3)InChIKey: GTRYXHORFPEEMD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H22O2/c1-9(13)7-11(3,4)12(5,6)8-10(2)14/h7-8H2,1-6H3
(5)Std. InChIKey: GTRYXHORFPEEMD-UHFFFAOYSA-N