4-(Isobutyryl)benzoic acid

About 4-(Isobutyryl)benzoic acid

4-(Isobutyryl)benzoic acid is a process intermediate or related compound of Ibuprofen carrying the CAS registry number 32018-30-7. Its molecular formula is C11H12O3 and its molecular weight is 192.21 g/mol. Its systematic (IUPAC) name is 4-(2-methylpropanoyl)benzoic acid. Alternative names: 4-(2-methyl-1-oxopropyl)Benzoic acid and Benzoic acid, 4-(2-methyl-1-oxopropyl)-.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

It is a process intermediate or related compound in the synthesis of Ibuprofen, useful for route development, impurity fate-and-purge studies and analytical method development. 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

Industries

Related to Ibuprofen

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

Ibuprofen impurities

Specifications & identifiers

Chemical identifiers
Product name	4-(Isobutyryl)benzoic acid
Catalogue No.	VQ-048618
CAS Number	32018-30-7
IUPAC name	4-(2-methylpropanoyl)benzoic acid
Molecular formula	C₁₁H₁₂O₃
Molecular weight	192.21 g/mol
Exact mass	192.0786
InChIKey	FLICZDVBYUMMAS-UHFFFAOYSA-N
SMILES	CC(C)C(=O)C1=CC=C(C=C1)C(=O)O
PubChem CID	10965347

Physical properties
Physical form	Solid
LogP (XLogP3)	2.7
H-bond donors / acceptors	1 / 3
TPSA	54.4 Å²

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 4-(Isobutyryl)benzoic acid?

The CAS Registry Number of 4-(Isobutyryl)benzoic acid is 32018-30-7. It is also known as 4-(2-methyl-1-oxopropyl)Benzoic acid, Benzoic acid, 4-(2-methyl-1-oxopropyl)-.

What is the molecular formula and molecular weight of 4-(Isobutyryl)benzoic acid?

4-(Isobutyryl)benzoic acid has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(2-methylpropanoyl)benzoic acid.

What is 4-(Isobutyryl)benzoic acid used for?

4-(Isobutyryl)benzoic acid is supplied as a characterised reference material related to Ibuprofen. 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 4-(Isobutyryl)benzoic acid can I order?

We supply 4-(Isobutyryl)benzoic 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 4-(Isobutyryl)benzoic acid?

Yes. Every lot of 4-(Isobutyryl)benzoic 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 4-(Isobutyryl)benzoic acid be shipped internationally?

Yes. We export 4-(Isobutyryl)benzoic acid worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.