2-Hydroxymethyloxetane

The 2-Hydroxymethyloxetane, with the CAS registry number of 61266-70-4, is also known as 2-Oxetanemethanol. It belongs to the product categories of Oxetanes; Simple 4-Membered Ring Compounds. Its molecular formula is C₄H₈O₂ and molecular weight is 88.11. What's more, its systematic name is Oxetan-2-ylmethanol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Hydroxymethyloxetane are: (1)ACD/LogP: -0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9; (6)ACD/KOC (pH 7.4): 9; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.46 Å²; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 21.669 cm³; (13)Molar Volume: 80.592 cm³; (14)Surface Tension: 42.526 dyne/cm; (15)Density: 1.093 g/cm³; (16)Flash Point: 78.798 °C; (17)Enthalpy of Vaporization: 47.183 kJ/mol; (18)Boiling Point: 168.784 °C at 760 mmHg; (19)Vapour Pressure: 0.518 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-(1-Ethoxyethoxy)methyloxetane. The reaction needs reagent HOAc. The yield is about 74 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Toluene-4-sulfonic acid oxetan-2-ylmethyl ester. This reaction needs reagent Pyridine. The reaction time is 1 h with reaction temperature of 0 °C. The yield is about 73 %.

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

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1CCO1
(2) InChI: InChI=1/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2
(3) InChIKey: PQZJTHGEFIQMCO-UHFFFAOYAJ