2,6-DIMETHYL-3,5-HEPTANEDIONE

The 3,5-Heptanedione,2,6-dimethyl- is an organic compound with the formula C₉H₁₆O₂. The IUPAC name of this chemical is 2,6-Dimethylheptane-3,5-dione. With the CAS registry number 18362-64-6, it is also named as 2,6-Dimethyl-3,5-heptanedione. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place. It is clear colorless to light yellow liquid.

The physical properties of 3,5-Heptanedione,2,6-dimethyl- are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.09; (4)ACD/BCF (pH 5.5): 23.08; (5)ACD/BCF (pH 7.4): 22.85; (6)ACD/KOC (pH 5.5): 329.19; (7)ACD/KOC (pH 7.4): 325.89; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 34.14 Å²; (11)Index of Refraction: 1.421; (12)Molar Refractivity: 43.72 cm³; (13)Molar Volume: 172 cm³; (14)Polarizability: 17.33×10^-24 cm³; (15)Surface Tension: 27.7 dyne/cm; (16)Density: 0.907 g/cm³; (17)Flash Point: 75.8 °C; (18)Enthalpy of Vaporization: 44.81 kJ/mol; (19)Boiling Point: 211.8 °C at 760 mmHg; (20)Vapour Pressure: 0.179 mmHg at 25 °C.

Uses of 3,5-Heptanedione,2,6-dimethyl-: it can be used to produce 5-Chloro-2,6-dimethyl-5-hepten-3-one at temperature of 40 - 52 °C. It will need reagents Ph₃P and CCl₄ and solvent acetic acid with reaction time of 4 hours. The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing 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(C(C)C)CC(=O)C(C)C
(2)InChI: InChI=1/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3
(3)InChIKey: CEGGECULKVTYMM-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3
(5)Std. InChIKey: CEGGECULKVTYMM-UHFFFAOYSA-N