3-Methyltetrahydrofuran

The 3-Methyltetrahydrofuran, with CAS registry number 13423-15-9, has the systematic name of 3-methyltetrahydrofuran. Besides this, it is also called Tetrahydro-3-methylfuran. And the chemical formula of this chemical is C₅H₁₀O. What's more, its EINECS is 236-537-4.

Physical properties of 3-Methyltetrahydrofuran: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 2.47; (7)ACD/KOC (pH 5.5): 66.45; (8)ACD/KOC (pH 7.4): 66.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 24.76 cm³; (15)Molar Volume: 99.7 cm³; (16)Polarizability: 9.81×10^-24cm³; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 0.863 g/cm³; (19)Enthalpy of Vaporization: 31.09 kJ/mol; (20)Boiling Point: 83.9 °C at 760 mmHg; (21)Vapour Pressure: 82.7 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-butane-1,4-diol. This reaction will need reagent sulfuric acid. The reaction temperature is 100 ℃.

Uses of 3-Methyltetrahydrofuran: it can be used to produce 2-methyl-1,4-diiodobutane. This reaction will need reagents phenyl dichlorophosphate, sodium iodide. The reaction time is 40 hour(s). The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
The 3-Methyltetrahydrofuran is highly flammable, so kee it away from sources of ignition. You should keep its container tightly closed and in a well-ventilated place. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CCC(C)C1
(2)InChI: InChI=1/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
(3)InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
(5)Std. InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYSA-N