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Acetone-1,3-dicarboxylic acid, 97%

Catalog No. AAA1374218
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Catalog No. AAA1374218 Supplier Thermo Scientific Chemicals Supplier No. A1374218
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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.
TRUSTED_SUSTAINABILITY

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

Specifications

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
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

RUO – Research Use Only

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