-
Name
5-ACETYLTETRAHYDROFURAN-2-ONE
- EINECS 249-603-2
- CAS No. 29393-32-6
- Article Data14
- CAS DataBase
- Density 1.191 g/cm3
- Solubility
- Melting Point
- Formula C6H8O3
- Boiling Point 286.3 °C at 760 mmHg
- Molecular Weight 128.128
- Flash Point 128.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 43.37000
- LogP 0.28100
2(3H)-Furanone,5-acetyldihydro- 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
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