Basic information
- Name:
3(2H)-Furanone,dihydro-
- Superlist Name:
- Dihydrofuran-3(2H)-one
- CAS No.:
22929-52-8
- Molecular Structure:
- Formula:
- C4H6O2
- Molecular Weight:
- 86.09
- Synonyms:
- 3-Oxotetrahydrofuran;Dihydro-3(2H)-furanone;Dihydrofuran-3-one;Oxolan-3-one;
- Density:
- 1.128 g/cm3
- Boiling Point:
- 151.1 °C at 760 mmHg
- Flash Point:
- 56.3 °C
- Hazard Symbols:
Xn- Risk Codes:
- 11-19-36/37/38-22
- Safety Description:
- 16-26-36/37/39-23 Details
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Specification
The Dihydrofuran-3(2H)-one, with CAS registry number 22929-52-8, belongs to the following product categories: (1)Carbonyl Compounds; (2)Heterocycles. It has the systematic name of dihydrofuran-3(2H)-one. And its IUPAC name is oxolan-3-one. And the chemical formula of this chemical is C4H6O2.
Physical properties of Dihydrofuran-3(2H)-one: (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.68; (8)ACD/KOC (pH 7.4): 5.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 20.18 cm3; (15)Molar Volume: 76.2 cm3; (16)Polarizability: 8×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Enthalpy of Vaporization: 38.8 kJ/mol; (19)Vapour Pressure: 3.72 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Dihydrofuran-3(2H)-one is highly flammable, so keep it away from sources of ignition. This chemical may form explosive peroxides. And it is also harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection and do not breathe vapour. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1COCC1
(2)InChI: InChI=1/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
(3)InChIKey: JLPJFSCQKHRSQR-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
(5)Std. InChIKey: JLPJFSCQKHRSQR-UHFFFAOYSA-N