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Propanedial, 2-methyl-

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Name

Propanedial, 2-methyl-

EINECS N/A
CAS No. 16002-19-0 Density 0.961 g/cm3
PSA 34.14000 LogP 0.02030
Solubility N/A Melting Point N/A
Formula C4H6O2 Boiling Point 112.5 °C at 760 mmHg
Molecular Weight 86.0904 Flash Point 30.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16002-19-0 (methylmalondialdehyde) Hazard Symbols N/A
Synonyms

Malonaldehyde,methyl- (6CI,7CI,8CI);Propanedial, methyl- (9CI);Methylmalonaldehyde;Methylmalondialdehyde;NSC 162796;

Article Data 7

Propanedial, 2-methyl- Specification

The Propanedial, 2-methyl-, with the CAS registry number 16002-19-0, is also known as Propanedial, methyl-. This chemical's molecular formula is C4H6O2 and molecular weight is 86.0892. Its systematic name is called methylpropanedial.

Physical properties of Propanedial, 2-methyl-: (1)ACD/LogP: -0.04; (2)ACD/LogD (pH 5.5): -0.32; (3)ACD/LogD (pH 7.4): -1.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.85; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.383; (11)Molar Refractivity: 20.91 cm3; (12)Molar Volume: 89.5 cm3; (13)Surface Tension: 28.2 dyne/cm; (14)Density: 0.961 g/cm3; (15)Flash Point: 30.9 °C; (16)Enthalpy of Vaporization: 35.1 kJ/mol; (17)Boiling Point: 112.5 °C at 760 mmHg; (18)Vapour Pressure: 21.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(C=O)C
(2)InChI: InChI=1/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3
(3)InChIKey: VXYSFSCCSQAYJV-UHFFFAOYAG

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