Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate

About Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate

Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate is a process intermediate or related compound of Teriflunomide carrying the CAS registry number 3788-94-1. The compound has the formula C9H14O4, corresponding to a molecular weight of 186.2 g/mol. Its systematic (IUPAC) name is ethyl 2-(ethoxymethylidene)-3-oxobutanoate. Alternative names: (Z)-ethyl 2-(ethoxymethylene)-3-oxobutanoate and (E)-Ethyl 2-(ethoxymethylene)-3-oxobutanoate.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Process chemists and analysts use it when developing synthetic routes to Teriflunomide, tracking process-related impurities and validating analytical methods. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate is dispatched with a Certificate of Analysis (COA) to destinations worldwide. This item is currently in stock for prompt dispatch.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Teriflunomide

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

Teriflunomide impurities

Specifications & identifiers

Chemical identifiers
Product name	Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate
Catalogue No.	VQ-013409
CAS Number	3788-94-1
IUPAC name	ethyl 2-(ethoxymethylidene)-3-oxobutanoate
Molecular formula	C₉H₁₄O₄
Molecular weight	186.2 g/mol
Exact mass	186.0892
Grade	Reference Standard
InChIKey	FNASCUBBFNCFQO-UHFFFAOYSA-N
SMILES	CCOC=C(C(=O)C)C(=O)OCC
PubChem CID	97734

Physical properties
Physical form	Solid
LogP (XLogP3)	1
H-bond donors / acceptors	0 / 4
TPSA	52.6 Å²
Synonyms	(Z)-ethyl 2-(ethoxymethylene)-3-oxobutanoate, (E)-Ethyl 2-(ethoxymethylene)-3-oxobutanoate, Ethyl 2-(ethoxymethylene)acetoacetate, 2-[1-Ethoxymethylidene]-3-oxo-butyric acid ethyl ester, Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester, ethyl 2-(ethoxymethylene)-3-oxobutanoate, ethyl 2-(ethoxymethylene)-3-oxo-butanoate, Ethyl 2-Acetyl-3-ethoxyacrylate, 2-Acetyl-3-ethoxyacrylic Acid Ethyl Ester, ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate, Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester, (2Z)-, ethyl 2-ethoxymethyleneacetoacetate

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, 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 Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate?

The CAS Registry Number of Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate is 3788-94-1. It is also known as (Z)-ethyl 2-(ethoxymethylene)-3-oxobutanoate, (E)-Ethyl 2-(ethoxymethylene)-3-oxobutanoate, Ethyl 2-(ethoxymethylene)acetoacetate.

What is the molecular formula and molecular weight of Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate?

Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate has the molecular formula C9H14O4 and a molecular weight of 186.2 g/mol. Its IUPAC name is ethyl 2-(ethoxymethylidene)-3-oxobutanoate.

What is Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate used for?

Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate is supplied as a characterised reference material related to Teriflunomide. 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 Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate can I order?

We supply Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg, 250 mg, 500 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate?

Yes. Every lot of Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate 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 Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate be shipped internationally?

Yes. Ethyl (E)-2-(ethoxymethylene)-3-oxobutanoate 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.