Calcium 2-Oxo-3-Phenylpropanoate

Name: Calcium 2-Oxo-3-Phenylpropanoate
Brand: Vaqora Chemicals
SKU: VQ-039817

About Calcium 2-Oxo-3-Phenylpropanoate

Listed under CAS 51828-93-4, Calcium 2-Oxo-3-Phenylpropanoate is a process intermediate or related compound of Isoleucine available from Vaqora Chemicals. Its molecular formula is C18H14CaO6 and its molecular weight is 366.4 g/mol. Systematically, it is named calcium bis(2-oxo-3-phenylpropanoate). Common synonyms include Calcium bis(3-phenylpyruvate) and Phenylpyruvic acid calcium salt.

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 Isoleucine, tracking process-related impurities and validating analytical methods. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

We offer Calcium 2-Oxo-3-Phenylpropanoate in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

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

Industries

Related to Isoleucine

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

Isoleucine impurities

Specifications & identifiers

Chemical identifiers
Product name	Calcium 2-Oxo-3-Phenylpropanoate
Catalogue No.	VQ-039817
CAS Number	51828-93-4
IUPAC name	calcium bis(2-oxo-3-phenylpropanoate)
Molecular formula	C₁₈H₁₄CaO₆
Molecular weight	366.4 g/mol
Exact mass	366.0416
InChIKey	BKMMOJVSLBZNTK-UHFFFAOYSA-L
SMILES	C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]
PubChem CID	6099006

Physical properties
Physical form	Solid
H-bond donors / acceptors	0 / 6
TPSA	114 Å²
Synonyms	Calcium bis(3-phenylpyruvate), Phenylpyruvic acid calcium salt, Calcium 2-oxo-3-phenylpropionate, Calcium phenylpyruvate, Calcium alpha-ketophenylalanine, Benzenepropanoic acid, a-oxo-, calcium salt

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 Calcium 2-Oxo-3-Phenylpropanoate?

The CAS Registry Number of Calcium 2-Oxo-3-Phenylpropanoate is 51828-93-4. It is also known as Calcium bis(3-phenylpyruvate), Phenylpyruvic acid calcium salt, Calcium 2-oxo-3-phenylpropionate.

What is the molecular formula and molecular weight of Calcium 2-Oxo-3-Phenylpropanoate?

Calcium 2-Oxo-3-Phenylpropanoate has the molecular formula C18H14CaO6 and a molecular weight of 366.4 g/mol. Its IUPAC name is calcium bis(2-oxo-3-phenylpropanoate).

What is Calcium 2-Oxo-3-Phenylpropanoate used for?

Calcium 2-Oxo-3-Phenylpropanoate is supplied as a characterised reference material related to Isoleucine. 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 Calcium 2-Oxo-3-Phenylpropanoate can I order?

We supply Calcium 2-Oxo-3-Phenylpropanoate, 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 Calcium 2-Oxo-3-Phenylpropanoate?

Yes. Every lot of Calcium 2-Oxo-3-Phenylpropanoate 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 Calcium 2-Oxo-3-Phenylpropanoate be shipped internationally?

Yes. Calcium 2-Oxo-3-Phenylpropanoate 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.