Acetone-1,3-dicarboxylic acid, 97%

Description

CAS: 542-05-2 | C5H6O5 | 146.098 g/mol

Acetone-1,3-dicarboxylic acid is used as a building block in organic chemistry. It is also used in the synthesis of hetrocyclic rings and in the Weiss-Cook reaction, which involves the preparation of cis-bicyclo[3.3.0]octane-3,7-dione by reacting with diacyl (1,2 ketone). Its presence in human urine is used as a diagnostic test for the overgrowth of harmful gut flora such as Candida albicans.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Acetone-1,3-dicarboxylic acid is used as a building block in organic chemistry. It is also used in the synthesis of hetrocyclic rings and in the Weiss-Cook reaction, which involves the preparation of cis-bicyclo[3.3.0]octane-3,7-dione by reacting with diacyl (1,2 ketone). Its presence in human urine is used as a diagnostic test for the overgrowth of harmful gut flora such as Candida albicans.

Solubility
Soluble in water and alcohol. Slightly soluble in ethyl acetate and ether. Insoluble in chloroform.

Notes
Hygroscopic. Incompatible with strong bases and strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 542-05-2
• Molecular Formula: C5H6O5
• Molecular Weight (g/mol): 146.098
• MDL Number: MFCD00002711
• InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N
• Synonym: 1,3-acetonedicarboxylic acid, 3-oxoglutaric acid, acetonedicarboxylic acid, pentanedioic acid, 3-oxo, acetone-1,3-dicarboxylic acid, 3-ketoglutaric acid, unii-ih7p7wo21p, 1,3-acetonedicarboxylic acid; 3-ketoglutaric acid, ih7p7wo21p, acetondicarbonsaure
• PubChem CID: 68328
• IUPAC Name: 3-oxopentanedioic acid
• SMILES: C(C(=O)CC(=O)O)C(=O)O

• Melting Point: ∼132°C (decomposition)
• Quantity: 50 g
• Beilstein: 1447081
• Sensitivity: Hygroscopic
• Merck Index: 14,68
• Solubility Information: Soluble in water and alcohol. Slightly soluble in ethyl acetate and ether. Insoluble in chloroform.
• Formula Weight: 146.1
• Percent Purity: 97%
• Chemical Name or Material: Acetone-1,3-dicarboxylic acid

Safety and Handling

Hazard Category	H315-H319-H500
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P264b-P280-P302+P352-P305+P351+P338-P332+P313-P362
EINECSNumber	208-797-9
TSCA	Yes
Recommended Storage	Store at -20°C

SDS

RUO – Research Use Only