Description

4-(trans-4-Amylcyclohexyl)benzoic Acid (CAS No. 65355-30-8) is a high-purity organic compound with the molecular formula C₁₈H₂₆O₂. This crystalline solid is widely utilized in advanced material science and liquid crystal research due to its unique structural properties. The compound features a benzoic acid moiety linked to a trans-4-pentylcyclohexyl group, offering excellent thermal stability and mesomorphic characteristics. With a purity grade of ≥98%, this product is ideal for synthetic applications, pharmaceutical intermediates, and functional material development. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 65355-30-8
• Complexity: 284
• IUPAC Name: 4-(4-pentylcyclohexyl)benzoic acid
• InChI: InChI=1S/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20)
• InChI Key: YXKKMVGGPRVHIL-UHFFFAOYSA-N
• Exact Mass: 274.193280068
• Molecular Formula: C18H26O2
• Molecular Weight: 274.4
• SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 274.193280068
• Synonyms: 4-(trans-4-Amylcyclohexyl)benzoic Acid, 685-423-4, 65355-30-8, 4-(trans-4-pentylcyclohexyl)benzoic acid, 4-(4-pentylcyclohexyl)benzoic acid, 4-(trans-4-n-Pentylcyclohexyl)benzoic acid, 4-((1s,4r)-4-Pentylcyclohexyl)benzoic acid, Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-(4-n-Pentylcyclohexyl)benzoic acid, C18H26O2, MFCD06208360, 66227-33-6, SCHEMBL220859, SCHEMBL220860, DTXSID50389271, YXKKMVGGPRVHIL-SHTZXODSSA-N, YXKKMVGGPRVHIL-UHFFFAOYSA-N, STK670837, AKOS001720940, AKOS015914918, 4-(trans-4-pentylcyclohexyl)benzoicacid, NCGC00332291-01, p-(trans-4-pentylcyclohexyl)benzoic acid, DA-03802, DS-12818, LS-14672, DB-005316, ST4016376, A2593, CS-0152358, F16571, AB01326462-02

Application

4-(trans-4-Amylcyclohexyl)benzoic Acid is primarily employed in the synthesis of liquid crystal materials for display technologies, owing to its stable mesophase behavior. Researchers also utilize it as a key intermediate in the preparation of advanced organic compounds for optoelectronic applications. Its benzoic acid functionality makes it suitable for further derivatization in pharmaceutical and material science research.

Safety and Hazards

GHS Hazard Statements

• H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (10%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (90%)
• Skin Irrit. 2 (10%)
• Eye Irrit. 2 (10%)

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