Diethyl 1,3-acetonedicarboxylate, 96%

About Diethyl 1,3-acetonedicarboxylate, 96%

Diethyl 1,3-acetonedicarboxylate is an ester carrying the CAS registry number 105-50-0 at a purity of 96%. Its molecular formula is C9H14O5 and its molecular weight is 202.2 g/mol. Its systematic (IUPAC) name is diethyl 3-oxopentanedioate. It is also known as 1,3-Acetonedicarboxylic acid diethyl ester or Diethyl 3-oxoglutarate.

It is supplied as a liquid. Literature values give a boiling point of 250 °C and a density of 1.113 g/mL at 25 °C. Keep containers tightly closed in a cool, well-ventilated area away from heat and ignition sources. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Typical applications include organic synthesis and API synthesis. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

We offer Diethyl 1,3-acetonedicarboxylate in 100 g and 500 g packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Diethyl 1,3-acetonedicarboxylate, 96%
Catalogue No.	VQ-008738
CAS Number	105-50-0
IUPAC name	diethyl 3-oxopentanedioate
Molecular formula	C₉H₁₄O₅
Molecular weight	202.2 g/mol
Exact mass	202.0841
Purity / assay	96%
HSN code	29242990
InChIKey	ZSANYRMTSBBUCA-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)CC(=O)OCC
PubChem CID	66045

Physical properties
Physical form	Liquid
Appearance	Liquid
Boiling point	250 °C
Density	1.113 g/mL at 25 °C
LogP (XLogP3)	0.7
H-bond donors / acceptors	0 / 5
TPSA	69.7 Å²
Synonyms	1,3-Acetonedicarboxylic acid diethyl ester, Diethyl 3-oxoglutarate, 3-Oxoglutaric acid diethyl ester, 3-Oxopentanedioic acid diethyl ester, Diethyl 1,3-acetonedicarboxylate, Pentanedioic acid, 3-oxo-, diethyl ester, Acetonedicarboxylic acid diethyl ester, Diethyl acetonedicarboxylate, Ethyl acetonedicarboxylate, Ethyl 3-oxoglutarate, Diethyl acetone dicarboxylate, Diethyl 1,3-acetone dicarboxylate

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 Diethyl 1,3-acetonedicarboxylate, 96%?

The CAS Registry Number of Diethyl 1,3-acetonedicarboxylate, 96% is 105-50-0. It is also known as 1,3-Acetonedicarboxylic acid diethyl ester, Diethyl 3-oxoglutarate, 3-Oxoglutaric acid diethyl ester.

What is the molecular formula and molecular weight of Diethyl 1,3-acetonedicarboxylate, 96%?

Diethyl 1,3-acetonedicarboxylate, 96% has the molecular formula C9H14O5 and a molecular weight of 202.2 g/mol. Its IUPAC name is diethyl 3-oxopentanedioate.

Which grade and pack sizes of Diethyl 1,3-acetonedicarboxylate, 96% can I order?

We supply Diethyl 1,3-acetonedicarboxylate, 96% in (96%) grade, in 100 g, 500 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Diethyl 1,3-acetonedicarboxylate, 96%?

Yes. Every lot of Diethyl 1,3-acetonedicarboxylate, 96% 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 Diethyl 1,3-acetonedicarboxylate, 96% be shipped internationally?

Yes. Diethyl 1,3-acetonedicarboxylate, 96% 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.