Description

Acetic acid, (p-butoxyphenyl)-, also known as 4-Butoxyphenylacetic acid or 2-(4-butoxyphenyl)acetic acid (CAS No. 4547-57-3), is a high-purity organic compound with the molecular formula C₁₂H₁₆O₃. This fine chemical is widely utilized in pharmaceutical, agrochemical, and material science research due to its versatile phenylacetic acid derivative structure. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder. Suitable for use as a synthetic intermediate, this compound offers excellent batch-to-batch consistency and is packaged under inert atmosphere to ensure long-term stability. Each shipment includes comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data for quality verification.

Properties

• CAS Number: 4547-57-3
• Complexity: 183
• IUPAC Name: 2-(4-butoxyphenyl)acetic acid
• InChI: InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
• InChI Key: KLJMYYFCWBVKEE-UHFFFAOYSA-N
• Exact Mass: 208.109944368
• Molecular Formula: C12H16O3
• Molecular Weight: 208.25
• SMILES: CCCCOC1=CC=C(C=C1)CC(=O)O
• Topological: 46.5
• Monoisotopic Mass: 208.109944368
• Synonyms: 4547-57-3, 4-Butoxyphenylacetic acid, 4-n-Butoxyphenylacetic acid, Benzeneacetic acid, 4-butoxy-, Acetic acid, (p-butoxyphenyl)-, p-Butoxyphenylacetic acid, 4-Butoxybenzeneacetic acid, (p-Butoxyphenyl)acetic acid, EINECS 224-904-1, BRN 1105534, 5P55RDR58C, DTXSID00196518, 4-N-BUTOXYBENZENEACETIC ACID, BENZENEACETIC ACID, P-BUTOXY-, ACETIC ACID, (4-BUTOXYPHENYL)-, DTXCID40119009, Benzeneacetic acid, 4-butoxy-(9CI), 224-904-1, 2-(4-butoxyphenyl)acetic acid, (4-butoxyphenyl)acetic acid, (4-n-Butoxyphenyl)acetic acid, 4-(n-Butoxyphenyl)acetic acid, 4-(N-Butoxy)phenyl acetic acid, 4-(n-butoxy)phenylacetic acid, (4-Butoxy-phenyl)-acetic acid, 2-(4-Butoxyphenyl)acetic Acid; Bufexamac Imp. A (EP); Bufexamac Impurity A, Bufexamac impurity A, MFCD00016832, 4-Butoxy phenylacetic acid, Cambridge id 5306907, p-(Butoxyphenyl)acetic acid, UNII-5P55RDR58C, SCHEMBL1285778, HMS1607O11, KUC110102N, BBL021194, SBB007692, STK893900, AKOS000210683, FB10237, AS-59845, KSC-229-64-1, BUFEXAMAC IMPURITY A [EP IMPURITY], DB-051306, B4742, CS-0128897, NS00031534, ST50320086, 4-Butoxyphenylacetic acid, >=98.0% (HPLC), D89105, AB00079767-01, EN300-6493248, SR-01000388884, SR-01000388884-1, Z149351104, Bufexamac impurity A, EuropePharmacopoeia (EP) Reference Standard

Application

4-Butoxyphenylacetic acid serves as a key building block in organic synthesis, particularly in the preparation of pharmaceutical intermediates and liquid crystal materials. Researchers utilize this compound in the development of non-steroidal anti-inflammatory drug (NSAID) analogs due to its phenylacetic acid core structure. The butoxy substituent enhances lipophilicity, making it valuable for structure-activity relationship studies in medicinal chemistry. In material science, it finds application as a precursor for mesogenic compounds in liquid crystal displays.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (97.8%)
• Eye Irrit. 2 (97.8%)
• STOT SE 3 (95.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.