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acetoacetic acid

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Origin: China

Cas No: 541-50-4

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 80 mt/month

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CAS No.: 541-50-4 Formula: C4H6O3 Molecular Weight: 102.08900

Description

Acetoacetic acid (also diacetic acid) is the organic compound with the formula CH3COCH2COOH. It is the simplest beta-keto acid group, and like other members of this class it is unstable. The methyl and ethyl esters, which are quite stable, are produced on a large scale industrially as precursors to dyes.
Acetoacetic acid is a weak acid. It is of biochemical importance in various animals, including humans, as one of the endogenous ketone bodies produced by the liver when it breaks down fatty acids into Acetyl-CoA and TCA cycle intermediates are depleted (particularly oxaloacetate, which is formed from pyruvate derived from glycolysis). It can be viewed as the product of joining two acetic acid molecules via a condensation reaction that ejects a water molecule in the process, although that is only one of the ways of forming the acetoacetate molecule. In the human body, a large portion of acetoacetate is converted to beta-hydroxybutyrate, a rich energy source for the brain, which cannot run directly on fatty acids themselves due to their poor ability to cross the blood-brain barrier.

Basic Info

Chemical Name	acetoacetic acid
Synonyms	Butanoic acid, 3-oxo-; 3-ketobutyric acid; ACETOACETATE; Acetyl acetic acid; Acetoacetic Acid; diacetic acid; acetacetic acid; 3-KETOBUTYRATE; 3-oxobutanate; 3-Oxobutyric acid; acetoncarboxylic acid;
CAS No.	541-50-4
Molecular Formula	C4H6O3
Molecular Weight	102.08900
PSA	54.37000
LogP	0.05010

Properties

Density	1.182g/cm3
Boiling Point	237.7ºC at 760mmHg
Flash Point	111.8ºC
Refractive Index	1.427

Safety Info

Safety Statements	S26-S36
HS Code	2918300090
Packing Group	III
RIDADR	UN 1759
Risk Statements	R36/37

Synthesis Route

4-methylcatechol→4-oxo-pent-2c-enoic acid+acetoacetic acid
butane-1,3-diol→acetoacetic acid+crotonaldehyde
butane-1,3-diol+Sulfuric acid→acetoacetic acid+crotonaldehyde

Precursor

tert-Butyl acetoacetate
Methyl acetoacetate
Ethyl acetoacetate
2,6-ditert-butyl-4-sulfanylphenol

Downstream Product

2'-Methylacetoacetanilide
2,2-dimethyl-5-(3-oxobutanoyl)-1,3-dioxane-4,6-dione
2-acetylpyridine-4-carbonitrile
4-hydroxy-4-pyridin-4-ylbutan-2-one

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