-
Name
2-OXOBUTANALDEHYDE
- EINECS
- CAS No. 4417-81-6
- Article Data26
- CAS DataBase
- Density 0.967 g/cm3
- Solubility
- Melting Point
- Formula C4H6O2
- Boiling Point 91.8 °C at 760 mmHg
- Molecular Weight 86.0904
- Flash Point 16.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Butyraldehyde,2-oxo- (6CI,7CI,8CI);2-Oxobutanal;2-Oxobutyraldehyde;Ethanedione, ethyl-;Ethylglyoxal;a-Ketobutanal;
- PSA 34.14000
- LogP 0.16440
Butanal, 2-oxo- Specification
The Butanal, 2-oxo- is an organic compound with the formula C4H6O2. The IUPAC name of this chemical is 2-Oxobutanal. With the CAS registry number 4417-81-6. Besides, its molecular weight is 86.09.
Physical properties about Butanal, 2-oxo- are: (1)ACD/LogP: -0.27; (2)ACD/LogD (pH 5.5): -0.27; (3)ACD/LogD (pH 7.4): -0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.96; (7)ACD/KOC (pH 7.4): 16.96; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14 Å2; (11)Index of Refraction: 1.383; (12)Molar Refractivity: 20.79 cm3; (13)Molar Volume: 89 cm3; (14)Polarizability: 8.24×10-24 cm3; (15)Surface Tension: 28.2 dyne/cm; (16)Density: 0.967 g/cm3; (17)Flash Point: 16.4 °C; (18)Enthalpy of Vaporization: 33.17 kJ/mol; (19)Boiling Point: 91.8 °C at 760 mmHg; (20)Vapour Pressure: 52.9 mmHg at 25 °C.
Uses of Butanal, 2-oxo-: it can be used to produce 1-Hydroxy-butan-2-one at temperature of 80 °C. It will need reagent Bis(η5-cyclopentadienyl)hafnium dihydride and solvent Propan-2-ol with reaction time of 8 hours. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(=O)CC
(2)InChI: InChI=1/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3
(3)InChIKey: RWHQMRRVZJSKGX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3
(5)Std. InChIKey: RWHQMRRVZJSKGX-UHFFFAOYSA-N
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