Basic information
- Name:
Propanoic acid, 2-oxo-,methyl ester
- Superlist Name:
- Methyl pyruvate
- CAS No.:
600-22-6
- Molecular Structure:
- Formula:
- C4H6O3
- Molecular Weight:
- 102.09
- Synonyms:
- Pyruvicacid, methyl ester (6CI,7CI,8CI);2-Oxo-propionic acid methyl ester;2-Oxopropanoic acid methyl ester;Methyl 2-oxopropanoate;Methyl2-oxopropionate;Methyl acetoformate;Methyl pyroracemate;Methyl pyruvate;Methylglyoxylic acid methyl ester;NSC 65430;Pyroracemic acid methyl ester;
- EINECS:
- 209-987-4
- Density:
- 1.072 g/cm3
- Boiling Point:
- 135.5 °C at 760 mmHg
- Flash Point:
- 39.4 °C
- Appearance:
- Clear colourless to yellow liquid
- Risk Codes:
- 10
- Safety Description:
- 16 Details
- Transport Information:
- UN 3272 3/PG 3
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Specification
The Propanoic acid, 2-oxo-,methyl ester, with the CAS registry number 600-22-6, is also known as 2-Oxopropanoic acid methyl ester. It belongs to the product category of Pyruvic Acid Series. Its EINECS number is 209-987-4. This chemical's molecular formula is C4H6O3 and molecular weight is 102.09. What's more, its systematic name is methyl 2-oxopropanoate. It can be used in organic synthesis. It should be sealed and stored in a cool and dry place.
Physical properties of Propanoic acid, 2-oxo-,methyl ester are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.01; (8)ACD/KOC (pH 7.4): 13.01; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.386; (14)Molar Refractivity: 22.38 cm3; (15)Molar Volume: 95.1 cm3; (16)Polarizability: 8.87×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 39.4 °C; (20)Enthalpy of Vaporization: 37.29 kJ/mol; (21)Boiling Point: 135.5 °C at 760 mmHg; (22)Vapour Pressure: 7.7 mmHg at 25°C.
Preparation: this chemical can be prepared by lactic acid methyl ester at the temperature of 25 °C. This reaction will need reagents NaOBr, HCl and solvents CH2Cl2, H2O with the reaction time of 5 hours. The yield is about 90%.
Uses of Propanoic acid, 2-oxo-,methyl ester: it can be used to produce 2-piperidin-1-yl-acrylic acid methyl ester. It will need reagent AsCl3 and solvent diethyl ether with the reaction time of 10 min. The yield is about 73%.
When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking. You must not breathe vapour. When using it, you need avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OC)C
(2)Std. InChI: InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
(3)Std. InChIKey: CWKLZLBVOJRSOM-UHFFFAOYSA-N