1,3-Acetonedicarboxylic acid

Name: 1,3-Acetonedicarboxylic acid
Brand: Vaqora Chemicals
SKU: VQ-039631

About 1,3-Acetonedicarboxylic acid

Listed under CAS 542-05-2, 1,3-Acetonedicarboxylic acid is a process intermediate or related compound of Tretinoin available from Vaqora Chemicals. Its molecular formula is C5H6O5 and its molecular weight is 146.1 g/mol. The IUPAC name is 3-oxopentanedioic acid. Common synonyms include 3-Oxoglutaric acid and Acetonedicarboxylic acid.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Warning” with 3 hazard statements. Review the Safety Data Sheet before use.

Process chemists and analysts use it when developing synthetic routes to Tretinoin, tracking process-related impurities and validating analytical methods. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development
Fine chemical synthesis

Industries

Related to Tretinoin

View every impurity, metabolite and intermediate we list for Tretinoin.

Tretinoin impurities

Specifications & identifiers

Chemical identifiers
Product name	1,3-Acetonedicarboxylic acid
Catalogue No.	VQ-039631
CAS Number	542-05-2
IUPAC name	3-oxopentanedioic acid
Molecular formula	C₅H₆O₅
Molecular weight	146.1 g/mol
Exact mass	146.0215
InChIKey	OXTNCQMOKLOUAM-UHFFFAOYSA-N
SMILES	C(C(=O)CC(=O)O)C(=O)O
PubChem CID	68328

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.7
H-bond donors / acceptors	2 / 5
TPSA	91.7 Å²
Synonyms	3-Oxoglutaric acid, Acetonedicarboxylic acid, Pentanedioic acid, 3-oxo-, beta-KETOGLUTARIC ACID, 3Oxoglutaric acid, 3Ketoglutaric acid, betaKetoglutaric acid, 3oxopentanedioic acid, Pentanedioic acid, 3oxo, acetone-1,3-dicarboxylic acid

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 1,3-Acetonedicarboxylic acid?

The CAS Registry Number of 1,3-Acetonedicarboxylic acid is 542-05-2. It is also known as 3-Oxoglutaric acid, Acetonedicarboxylic acid, Pentanedioic acid, 3-oxo-.

What is the molecular formula and molecular weight of 1,3-Acetonedicarboxylic acid?

1,3-Acetonedicarboxylic acid has the molecular formula C5H6O5 and a molecular weight of 146.1 g/mol. Its IUPAC name is 3-oxopentanedioic acid.

What is 1,3-Acetonedicarboxylic acid used for?

1,3-Acetonedicarboxylic acid is supplied as a characterised reference material related to Tretinoin. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 1,3-Acetonedicarboxylic acid can I order?

We supply 1,3-Acetonedicarboxylic acid, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 1,3-Acetonedicarboxylic acid?

Yes. Every lot of 1,3-Acetonedicarboxylic acid is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 1,3-Acetonedicarboxylic acid be shipped internationally?

Yes. 1,3-Acetonedicarboxylic acid is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.