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29393-32-6

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Basic Information
CAS No.: 29393-32-6
Name: 5-ACETYLTETRAHYDROFURAN-2-ONE
Article Data: 14
Molecular Structure:
Molecular Structure of 29393-32-6 (5-ACETYLTETRAHYDROFURAN-2-ONE)
Formula: C6H8O3
Molecular Weight: 128.128
Synonyms: Hexanoicacid, 4-hydroxy-5-oxo-, lactone (6CI);Hexanoic acid, 4-hydroxy-5-oxo-, g-lactone (7CI);4-Hydroxy-5-oxohexanoic acid lactone;4-Hydroxy-5-oxohexanoicacid g-lactone;5-Acetyl-g-butyrolactone;Solerone;5-acetyldihydrofuran-2(3H)-one;2(3H)-furanone, 5-acetyldihydro-;5-Acetyldihydro-2(3H)-furanone;5-Acetyldihydrofuran-2(3H)-one;
EINECS: 249-603-2
Density: 1.191 g/cm3
Boiling Point: 286.3 °C at 760 mmHg
Flash Point: 128.2 °C
PSA: 43.37000
LogP: 0.28100
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Specification

The 2(3H)-Furanone,5-acetyldihydro-, with the CAS registry number 29393-32-6 and EINECS registry number 249-603-2, has the systematic name of 5-acetyldihydrofuran-2(3H)-one. It is also called 5-acetyloxolan-2-one. And the molecular formula of the chemical is C6H8O3.

The characteristics of 2(3H)-Furanone,5-acetyldihydro- are as followings: (1)ACD/LogP: -1.27; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.84; (8)ACD/KOC (pH 7.4): 4.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 29.38 cm3; (15)Molar Volume: 107.5 cm3; (16)Polarizability: 11.65×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 128.2 °C; (20)Enthalpy of Vaporization: 52.54 kJ/mol; (21)Boiling Point: 286.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00265 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C)C1OC(=O)CC1
(2)InChI: InChI=1/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3
(3)InChIKey: AHLDCEZSQNGEFT-UHFFFAOYAQ