2-PHENYL-1,3-DIOXOLANE

The 1, 3-Dioxolane, 2-phenyl-, with the CAS registry number of 936-51-6, is also known as Benzaldehyde ethylene acetal. It belongs to the product categories of Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 213-315-5. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.17. What's more, its IUPAC name is 2-Phenyl-1, 3-dioxolane. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be avoided contact with light.

Physical properties about 1, 3-Dioxolane, 2-phenyl- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.16; (6)ACD/BCF (pH 7.4): 10.16; (7)ACD/KOC (pH 5.5): 182.9; (8)ACD/KOC (pH 7.4): 182.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 41.48 cm³; (15)Molar Volume: 134.9 cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.112 g/cm³; (18)Flash Point: 98.3 °C; (19)Enthalpy of Vaporization: 45.2 kJ/mol; (20)Boiling Point: 234.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0808 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Ethane-1, 2-diol with Benzaldehyde. The reaction needs reagent I₂ and solvent Tetrahydrofuran. The reaction time is 7 minutes. The yield is about 85 %.

Uses of 1, 3-Dioxolane, 2-phenyl-: it is used to produce other chemicals. For example, it is used to produce 2-Benzyloxy-ethanol at ambient temperature. The reaction needs reagent ZrCl₄/NaBH₄ and solvent Tetrahydrofuran. The reaction time is 6 hours. The yield is about 92 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O1CCOC1c2ccccc2
(2) InChI: InChI=1/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2
(3) InChIKey: LYINTWKRUWVLBA-UHFFFAOYAE