5-(hydroxymethyl)dihydrofuran-2(3H)-one

This chemical is called 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, and its IUPAC name is 5-(hydroxymethyl)oxolan-2-one. With the molecular formula of C₅H₈O₃, its molecular weight is 116.115. The CAS registry number of this chemical is 10374-51-3.

Other characteristics of the 2(3H)-Furanone,dihydro-5-(hydroxymethyl)- can be summarised as followings: (1)ACD/LogP: -1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.49; (8)ACD/KOC (pH 7.4): 2.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 26.41 cm³; (15)Molar Volume: 94.8 cm³; (16)Polarizability: 10.47×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 146 °C; (20)Enthalpy of Vaporization: 63.73 kJ/mol; (21)Boiling Point: 308.9 °C at 760 mmHg; (22)Vapour Pressure: 6.02E-05 mmHg at 25°C.

Production method of this chemical: The 2(3H)-Furanone, dihydro-5-(hydroxymethyl)- could be obtained by the reactant of hexa-1,5-diene. This reaction needs the reagents of KMnO₄, CuSO₄*5H₂O, H₂O, and the solvent of CH₂Cl₂. The yield is 20 %. In addition, the reaction time is 6 hours.

Uses of this chemical: The could react with acetic acid anhydride to obtain the 5-acetoxymethyl-dihydro-furan-2-one. This reaction needs the reagents of Et₃N, 4-pyrrolidinopyridine, and the solvent of CH₂Cl₂. The yield is 92 %. In addition, this reaction should be taken for 10 hours at ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC(CO)CC1
2.InChI: InChI=1/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2
3.InChIKey: NSISJFFVIMQBRN-UHFFFAOYAF