Description

4-Isopropylcyclohexanecarboxylic Acid (CAS No. 7077-05-6) is a high-purity cyclohexane derivative with the molecular formula C₁₀H₁₈O₂. This compound, also known by its IUPAC name 4-propan-2-ylcyclohexane-1-carboxylic acid, is a versatile intermediate in organic synthesis and pharmaceutical research. Available in both cis and trans isomeric forms, it is characterized by its white crystalline solid appearance and stable shelf life under recommended storage conditions. Ideal for researchers requiring precise structural modifications, this carboxylic acid derivative is rigorously tested for purity (typically ≥95% by GC or HPLC) and is supplied with comprehensive analytical data, including NMR and MS spectra. Suitable for use in peptide coupling reactions, esterifications, and as a building block for chiral auxiliaries or ligands in asymmetric catalysis.

Properties

• CAS Number: 7077-05-6
• Complexity: 155
• IUPAC Name: 4-isopropylcyclohexanecarboxylic acid
• InChI: InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
• InChI Key: YRQKWRUZZCBSIG-UHFFFAOYSA-N
• Exact Mass: 170.130679813
• Molecular Formula: C10H18O2
• Molecular Weight: 170.25
• SMILES: CC(C)C1CCC(CC1)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 170.130679813
• Synonyms: cis-4-Isopropylcyclohexanecarboxylic acid, 4-Isopropylcyclohexanecarboxylic acid, 230-385-2, 674-630-5, trans-4-Isopropylcyclohexanecarboxylic acid, 7077-05-6, 62067-45-2, 7084-93-7, trans-4-Isopropylcyclohexane carboxylic acid, Isopropyl-cyclohexanecarboxylic acid, 4-propan-2-ylcyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, trans-, 4-isopropylcyclohexane carboxylic acid, trans-4-Isopropylcyclohexyl carboxylic acid, MFCD04004145, J76GYT4RZX, Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, cis-, (1s,4s)-4-(propan-2-yl)cyclohexane-1-carboxylic acid, trans-4-(1-methylethyl)cyclohexanecarboxylic acid, hexahydrocumic acid, 4-(propan-2-yl)cyclohexane-1-carboxylic acid, P-isopropylhexahydrobenzoic acid, Cyclohexanecarboxylic acid, 4-isopropyl-, trans-, (1r,4r)-4-(propan-2-yl)cyclohexane-1-carboxylic acid, 4-(methylethyl)cyclohexanecarboxylic acid, trans-4-isopropylcyclohexylcarboxylic acid, trans-p-Menthan-7-oic acid, Cyclohexanecarboxylic acid, 4-isopropyl-, EINECS 230-385-2, MFCD01734696, MFCD19706019, 4-iso-Propylcyclohexanecarboxylic acid, NSC 124041, Nateglinide Impurity A, UNII-J76GYT4RZX, Cyclohexanecarboxylic acid, 4-isopropyl-, cis-, trans-4-(1-methylethyl)cyclohexane carboxylic acid, SCHEMBL824154, 4-isopropylcyclohexanecarboxylic, SCHEMBL1692318, SCHEMBL6543370, SCHEMBL10270877, DTXSID00884281, DTXSID20884283, DTXSID50977652, YRQKWRUZZCBSIG-DTORHVGOSA-N, YRQKWRUZZCBSIG-UHFFFAOYSA-N, HAA08493, NSC28951, EINECS 230-375-8, AC7772, NSC 28951, NSC-28951, NSC124041, SBB008598, STK661653, AKOS004093386, AKOS006344479, 4-isopropyl cyclohexane carboxylic acid, AC-4554, cis-4-Isopropylcyclohexanecarboxylicacid, CS-W023032, GS-3182, NSC-124041, SB44777, AS-10826, AS-83236, SY031424, 4-(propan-2-yl)cyclohexanecarboxylic acid, DB-055449, DB-073045, DB-264662, trans-4-iso-Propylcyclohexanecarboxylic acid, 4-(1-Methylethyl)-cyclohexanecarboxylic acid, I0664, I0874, NATEGLINIDE IMPURITY A [EP IMPURITY], NS00043573, NS00081006, ST50828329, cis-4-Isopropylcyclohexanecarboxylic acid, 97%, EN300-116591, EN300-139354, EN300-244785, H27907, T72718, A1-00910, F2191-0123, Z1201622623

Application

4-Isopropylcyclohexanecarboxylic Acid is widely used as a synthetic intermediate in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its sterically hindered cyclohexane ring makes it valuable for studying conformational effects in drug design. Researchers also employ it in catalysis studies and as a precursor for chiral resolving agents. The compound’s stability and functional group compatibility lend utility in combinatorial chemistry libraries.

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]
• H335 (100%): 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

If you are interested or have any questions, please contact us at support@atomfair.com

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