Description

4-(Octyloxy)benzoic acid (CAS No. 2493-84-7) is a high-purity organic compound with the molecular formula C₁₅H₂₂O₃ and IUPAC name 4-octoxybenzoic acid. This versatile chemical is widely used in liquid crystal research, organic synthesis, and material science applications. The compound features a benzoic acid core substituted with an octyloxy group at the para position, offering unique mesomorphic properties. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a white to off-white crystalline powder. It is soluble in common organic solvents such as ethanol, acetone, and dichloromethane, but has limited solubility in water. Each batch is accompanied by comprehensive analytical documentation including ¹H NMR, HPLC chromatograms, and mass spectrometry data. Available in convenient packaging options from grams to kilograms, this material is ideal for researchers requiring consistent quality in advanced material development.

Properties

• CAS Number: 2493-84-7
• Complexity: 220
• IUPAC Name: 4-octoxybenzoic acid
• InChI: InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)
• InChI Key: IALWCYFULVHLEC-UHFFFAOYSA-N
• Exact Mass: 250.15689456
• Molecular Formula: C15H22O3
• Molecular Weight: 250.33
• SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)O
• Topological: 46.5
• Monoisotopic Mass: 250.15689456
• Physical Description: P-n-octyloxybenzoic acid is a white powder.
• Melting Point: 226 °F
• Solubility: less than 1 mg/mL at 68 °F
• Synonyms: 2493-84-7, 4-n-Octyloxybenzoic acid, 4-Octyloxybenzoic acid, 4-(Octyloxy)benzoic acid, Benzoic acid, 4-(octyloxy)-, p-(Octyloxy)benzoic acid, P-N-OCTYLOXYBENZOIC ACID, p-Octoxybenzoic acid, p-(n-Octyloxy)benzoic acid, Benzoic acid, p-(octyloxy)-, CCRIS 4690, 04GD4OJ7FU, octyloxybenzoic acid, NSC 142138, DTXSID1025807, NSC-142138, DTXCID905807, OCTYLOXYBENZOIC ACID, 4-, P-(N-OCTOXY)BENZOIC ACID, Benzoic acid, p-(octyloxy)-(8CI), 607-462-8, p-Octyloxybenzoic acid, 4-octoxybenzoic acid, OOBA, MFCD00013993, MLS002454443, SMR001372025, 4-n-octoxybenzoic acid, p-octyloxy benzoic acid, 4-octyloxy benzoic acid, 4-(Octyloxy)benzoicacid, 4-Octyloxy-benzoic acid, UNII-04GD4OJ7FU, 4-(n-octyloxy)benzoic acid, cid_17231, SCHEMBL503567, SCHEMBL7219190, 4-(octyloxy)benzoic acid (en), CHEMBL1328156, BDBM74417, 4-(Octyloxy)benzoic acid, 98%, 4-[(Oct-1-yl)oxy]benzoic acid, CHEBI:170073, Tox21_200904, BBL102166, NSC142138, SBB008044, STL555965, AKOS004908118, FO61813, NCGC00091132-01, NCGC00091132-02, NCGC00258458-01, AS-59104, CAS-2493-84-7, CS-0147091, NS00027771, O0117, ST45028130, D91803, Q27889401

Application

4-(Octyloxy)benzoic acid serves as a key intermediate in the synthesis of liquid crystalline materials, particularly for thermotropic liquid crystal displays. Researchers utilize this compound to study phase transition behavior in mesogenic systems due to its stable smectic and nematic phases. The material finds application in the development of advanced organic electronic components and as a building block for supramolecular chemistry. Its amphiphilic nature makes it suitable for investigating self-assembly processes in material science.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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