4-METHYL-1,3-DIOXOLANE

The 1,3-Dioxolane,4-methyl- has the CAS registry number 1072-47-5. It belongs to the product categories of Dioxanes & Dioxolanes; Dioxolanes; Organic Building Blocks; Oxygen Compounds; Protected Alcohols/Phenols. Its EINECS number is 214-008-9. This chemical's molecular formula is C₄H₈O₂ and molecular weight is 88.11. What's more, its systematic name is 4-methyl-1,3-dioxolane. It is stable at common pressure and temperature, and it should be sealed and stored in cool and dry places. What's more, it should be protected from strong oxides and acids.

Physical properties of 1,3-Dioxolane,4-methyl- are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 17.79; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 18.46 Å²; (10)Index of Refraction: 1.394; (11)Molar Refractivity: 21.75 cm³; (12)Molar Volume: 90.7 cm³; (13)Surface Tension: 27.9 dyne/cm; (14)Density: 0.97 g/cm³; (15)Flash Point: 4 °C; (16)Enthalpy of Vaporization: 30.96 kJ/mol; (17)Boiling Point: 82.4 °C at 760 mmHg; (18)Vapour Pressure: 87.6 mmHg at 25°C.

Preparation: this chemical can be prepared by formaldehyde, propane-1,2-diol by heating. This reaction will need reagent H₂SO₄ conc. and solvent H₂O. The yield is about 80%.

Uses of 1,3-Dioxolane,4-methyl-: it can be used to produce 2-methoxy-1-(triethylsiloxy)propane at the temperature of 80 - 100 °C. It will need catalyst colloidal nickel with the reaction time of 1 hour. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It may form explosive peroxides. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1COCO1
(2)InChI: InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3
(3)InChIKey: SBUOHGKIOVRDKY-UHFFFAOYSA-N