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Butanal, 2-oxo-

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Name

Butanal, 2-oxo-

EINECS N/A
CAS No. 4417-81-6 Density 0.967 g/cm3
PSA 34.14000 LogP 0.16440
Solubility N/A Melting Point N/A
Formula C4H6O2 Boiling Point 91.8 °C at 760 mmHg
Molecular Weight 86.0904 Flash Point 16.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4417-81-6 (2-OXOBUTANALDEHYDE) Hazard Symbols N/A
Synonyms

Butyraldehyde,2-oxo- (6CI,7CI,8CI);2-Oxobutanal;2-Oxobutyraldehyde;Ethanedione, ethyl-;Ethylglyoxal;a-Ketobutanal;

Article Data 26

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%.

Butanal, 2-oxo- can be used to produce 1-Hydroxy-butan-2-one

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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