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Methyl pyruvate

Methyl pyruvate structure

CAS No:
600-22-6
Formula:
C4H6O3
Chemical Name:
Methyl pyruvate
Synonyms:
Propanoic acid,2-oxo-,methyl ester;Pyruvic acid,methyl ester;Methyl pyruvate;Methylglyoxylic acid methyl ester;Methyl 2-oxopropionate;Methyl 2-oxopropanoate;Methyl acetoformate;NSC 65430;2-Oxopropanoic acid methyl ester;2-Oxopropionic acid methyl ester;Pyroracemic acid methyl ester;Methyl pyroracemate;Methyl methoxycarbonyl ketone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

CLEAR COLOURLESS TO YELLOW LIQUID Methyl pyruvate is a clear, light yellow, and flammable liquid.

Methyl pyruvate is a pyruvate ester resultinf grom the formal condensation of the carboxy group of pyruvic acid with the hydroxy group of methanol. It is a pyruvate ester and a methyl ester. It derives from a pyruvic acid.

Methyl pyruvate Basic Attributes

Molecular Weight：

102.09

Exact Mass：

102.09

BRN：

1361953

EC Number：

209-987-4

UNII：

3KJM65G5XL

NSC Number：

65430

DSSTox ID：

DTXSID9049326

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

Appearance：

yellow cast liquid

Density：

1.1±0.1 g/cm3

Melting Point：

-22 °C

Boiling Point：

135.5 °C

Flash Point：

103 °F

Refractive Index：

1.387

Water Solubility：

soluble in chloroform, methanol, ether, alcohol. Slightly soluble in water.ethanol: soluble 1.1g/10 mL, clear, colorless to almost colorless

Storage Conditions：

2-8°C

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

safety instructions：

23-24/25-16

Marks：

Xi,F

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (91.84%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 49 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

methyl pyruvate

Methyl pyruvate Use and Manufacturing

Methods of Manufacturing

Heat 88g (1mol) of freshly steamed pyruvic acid, 128g (4mol) of anhydrous methanol, 350ml and 0.2g of p-toluenesulfonic acid to reflux overnight. In the process of continuing to flow, the reflux liquid is separated into layers and the lower layer is continuously released. Until the reflux liquid is tested for stratification. Fractional distillation of the reaction solution and collection of 136-140°C fractions yielded methyl pyruvate with a yield of 65-71%.

Uses

Used as pharmaceutical raw materials and pesticide intermediates

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:102.09
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:102.031694049
Monoisotopic Mass:102.031694049
Topological Polar Surface Area:43.4
Heavy Atom Count:7
Complexity:95.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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