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64026-45-5

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Basic Information
CAS No.: 64026-45-5
Name: dihydro-2,5-dimethylfuran-3(2H)-one
Molecular Structure:
Molecular Structure of 64026-45-5 (dihydro-2,5-dimethylfuran-3(2H)-one)
Formula: C6H10O2
Molecular Weight: 114.144
Synonyms: 2,5-Dimethyl-4,5-dihydro-3(2H)-furanone;2,5-Dimethyltetrahydrofuran-3-one;Dihydro-2,5-dimethylfuran-3(2H)-one;4,5-Dihydro-2,5-dimethyl-3(2H)-furanone;
EINECS: 264-613-7
Density: 0.981 g/cm3
Boiling Point: 164.5 °C at 760 mmHg
Flash Point: 55.1 °C
PSA: 26.30000
LogP: 0.75280
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Specification

The 3(2H)-Furanone,dihydro-2,5-dimethyl- with CAS registry number of 64026-45-5 is also known as Dihydro-2,5-dimethylfuran-3(2H)-one and 4,5-Dihydro-2,5-dimethyl-3(2H)-furanone. The IUPAC name is 2,5-Dimethyloxolan-3-one. Its EINECS registry number is 264-613-7. In addition, the formula is C6H10O2 and the molecular weight is 114.1424.

Physical properties about 3(2H)-Furanone,dihydro-2,5-dimethyl- are: (1)(1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.48; (8)ACD/KOC (pH 7.4): 19.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 29.59 cm3; (15)Molar Volume: 116.2 cm3; (16)Polarizability: 11.73×10-24cm3; (17)Surface Tension: 25.8 dyne/cm; (18)Density: 0.981 g/cm3; (19)Flash Point: 55.1 °C; (20)Enthalpy of Vaporization: 40.1 kJ/mol; (21)Boiling Point: 164.5 °C at 760 mmHg; (22)Vapour Pressure: 1.96 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1C(OC(C)C1)C
2. InChI: InChI=1/C6H10O2/c1-4-3-6(7)5(2)8-4/h4-5H,3H2,1-2H3
3. InChIKey: PAZYIUKTJFPTKT-UHFFFAOYAP
4. Std. InChI: InChI=1S/C6H10O2/c1-4-3-6(7)5(2)8-4/h4-5H,3H2,1-2H3
5. Std. InChIKey: PAZYIUKTJFPTKT-UHFFFAOYSA-N