Description

2-Oxo-4-phenylbutyric acid (CAS No. 710-11-2) is a high-purity organic compound with the molecular formula C₁₀H₁₀O₃. This keto acid derivative is widely utilized in pharmaceutical research, organic synthesis, and biochemical studies. Its IUPAC name, 2-oxo-4-phenylbutanoic acid, reflects its structural features: a phenyl group attached to a butanoic acid backbone with a ketone at the 2-position. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for sensitive applications. Store in a cool, dry place, protected from light and moisture to maintain stability. Suitable for use as a synthetic intermediate, chiral building block, or substrate for enzymatic studies.

Properties

• CAS Number: 710-11-2
• Complexity: 192
• IUPAC Name: 2-oxo-4-phenyl-butanoic acid
• InChI: InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
• InChI Key: PPKAIMDMNWBOKN-UHFFFAOYSA-N
• Exact Mass: 178.062994177
• Molecular Formula: C10H10O3
• Molecular Weight: 178.18
• SMILES: C1=CC=C(C=C1)CCC(=O)C(=O)O
• Topological: 54.4
• Monoisotopic Mass: 178.062994177
• Synonyms: 2-oxo-4-phenylbutanoic acid, 710-11-2, 2-Oxo-4-phenylbutyric acid, EINECS 211-916-7, alpha-Oxobenzenebutanoic acid, DTXSID10221224, DTXCID10143715, 211-916-7, 2-Oxo-4-phenyl-butyric acid, Benzenebutanoic acid, a-oxo-, benzylpyruvic acid, Benzenebutanoic acid, alpha-oxo-, MFCD00969471, 4-phenyl-2-oxobutyric acid, CHEMBL16281, 2-Oxo-4-phenylbutanoate, 2-Oxo-4-phenylbutanoicacid, 2-oxo-4-phenyl-butanoic acid, oxobenzenebutanoic acid, ZRJ8BR4W8R, 4-phenyl-2-oxobutanoic acid, 2-oxo-4-phenyl butyric acid, SCHEMBL258545, 4-Phenyl-2-Ketobutanoic Acid, SCHEMBL8665145, CHEBI:181422, ALBB-014726, 2-Hydroxy-4-phenyl-2-butenoic acid, BDBM50125828, SBB063374, AKOS005174543, AC-3539, CS-W019322, DS-3613, 2-Butenoic acid, 2-hydroxy-4-phenyl-, 2-oxo-4-phenyl-butyric acid, AldrichCPR, DB-055479, NS00037138, O0389, C20327, EN300-143516, Z1201620725, Y9E

Application

2-Oxo-4-phenylbutyric acid serves as a key intermediate in the synthesis of pharmaceuticals, particularly ACE inhibitors and other cardiovascular drugs. Researchers employ it as a precursor for chiral resolution studies due to its asymmetric carbon center. It is also used in metabolic pathway investigations and as a standard in analytical chemistry for method development.

Safety and Hazards

GHS Hazard Statements

• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (75%)
• Eye Dam. 1 (25%)
• Eye Irrit. 2A (75%)

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