2,2,4-Trimethyl-1,3-dioxolane

The 2,2,4-Trimethyl-1,3-dioxolane, with its CAS registry number 1193-11-9, has the IUPAC name of 2,2,4-trimethyl-1,3-dioxolane. And it has the molecular formula of C₆H₁₂O₂. When store it, you should keep it sealed in the dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of 2,2,4-Trimethyl-1,3-dioxolane are as follows: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.39; (6)ACD/BCF (pH 7.4): 2.39; (7)ACD/KOC (pH 5.5): 64.89; (8)ACD/KOC (pH 7.4): 64.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Ų; (13)Index of Refraction: 1.396; (14)Molar Refractivity: 31.07 cm³; (15)Molar Volume: 129.2 cm³; (16)Polarizability: 12.31×10^-24cm³; (17)Surface Tension: 25.9 dyne/cm; (18)Density: 0.899 g/cm³; (19)Flash Point: 18.8 °C; (20)Enthalpy of Vaporization: 33.15 kJ/mol; (21)Boiling Point: 107 °C at 760 mmHg; (22)Vapour Pressure: 32.3 mmHg at 25°C; (23)Exact Mass: 116.08373; (24)MonoIsotopic Mass: 116.08373; (25)Topological Polar Surface Area: 18.5; (26)Heavy Atom Count: 8; (27)Complexity: 88.5; (28)Undefined Atom StereoCenter Count: 1; (29)Covalently-Bonded Unit Count: 1.

When you are using this chemical, you should be careful. This is irritating to eyes, respiratory system and skin and it is harmful if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and then keep away from sources of ignition - No smoking.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1COC(O1)(C)C
(2)InChI: InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3
(3)InChIKey: ALTFLAPROMVXNX-UHFFFAOYSA-N