Description

4-Methylcyclohexanecarboxylic acid (CAS No. 13064-83-0) is a high-purity organic compound with the molecular formula C₈H₁₄O₂. This cyclohexane derivative is characterized by a carboxyl group at the 1-position and a methyl substituent at the 4-position, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 4-methylcyclohexane-1-carboxylic acid, and it is supplied as a clear to slightly yellow liquid or white crystalline solid, depending on storage conditions. With a purity of ≥98%, this compound is ideal for use in chemical synthesis, catalysis studies, and material science applications. Proper storage under inert conditions is recommended to ensure stability.

Properties

• CAS Number: 13064-83-0
• Complexity: 123
• IUPAC Name: 4-methylcyclohexanecarboxylic acid
• InChI: InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
• InChI Key: QTDXSEZXAPHVBI-UHFFFAOYSA-N
• Exact Mass: 142.099379685
• Molecular Formula: C8H14O2
• Molecular Weight: 142.20
• SMILES: CC1CCC(CC1)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 142.099379685
• Synonyms: 4-METHYLCYCLOHEXANECARBOXYLIC ACID, 4331-54-8, UNII-PDA15MV7IO, EINECS 224-369-4, PDA15MV7IO, DTXSID80195822, Cyclohexanecarboxylic acid, 4-methyl-, DTXCID20118313, 224-369-4, qtdxsezxaphvbi-uhfffaoysa-n, trans-4-Methylcyclohexanecarboxylic acid, 13064-83-0, cis-4-Methylcyclohexanecarboxylic acid, 934-67-8, 4-methylcyclohexane-1-carboxylic acid, 4-Methyl-1-cyclohexanecarboxylic acid, CYCLOHEXANECARBOXYLIC ACID, 4-METHYL-, TRANS-, trans-4-Methyl-1-cyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 4-methyl-, cis-, cis-4-methylcyclohexane-1-carboxylic acid, MFCD00074909, MFCD00074943, TRANS-4-METHYLCYCLOHEXANE CARBOXYLIC ACID, 70F0I2AMTV, 4-Methylcyclohexanecarboxylic acid, cis-, 4-Methylcyclohexanecarboxylic acid, trans-, (1r,4r)-4-methylcyclohexane-1-carboxylic acid, M7DSK28350, NSC-124039, 4-METHYLCYCLOHEXYLFORMATE, 4-Methyl-cyclohexanecarboxylic acid, UNII-70F0I2AMTV, UNII-M7DSK28350, 4-Methylcyclohexanecarboxylic Acid; p-Methylcyclohexanecarboxylic Acid, EINECS 213-289-5, EINECS 235-959-6, MFCD20617670, (1r,4r)-4-methylcyclohexanecarboxylic acid, trans-4-methylcyclohexane-1-carboxylic acid, SAMPL4, O7, TRANS-4-METHYL CYCLOHEXANE CARBOXYLIC ACID, 40392-31-2, SCHEMBL135660, SCHEMBL135662, SCHEMBL265529, SCHEMBL926395, DTXSID20274140, DTXSID20274145, BDBM197306, BCP28155, NSC124039, SBB065950, STK286091, ZB1708, AKOS003386241, AKOS006376629, AKOS006377006, trans-4-Methylcyclohexanecarboxylicacid, AB02851, NSC 124039, SB22811, SB66954, s12052, trans-4-methylcyclohexyl carboxylic acid, trans 4-methyl-cyclohexanecarboxylic acid, trans 4-methylcyclohexane carboxylic acid, trans-4-methyl-cyclohexanecarboxylic acid, AC-18445, AS-10825, AS-79148, Cyclohexanecarboxylic acid,4-methyl-,cis-, SY066773, SY113256, SY265457, TS-01847, DB-007928, 4-Methyl-1-cyclohexanecarboxylic acid, 99%, CS-0035994, CS-0096911, CS-0114192, M1621, M1783, NS00031330, NS00079730, NS00084845, trans-4-methyl-1-cyclohexane carboxylic acid, EN300-84995, EN300-92156, C90647, trans-4-Methyl-1-cyclohexanecarboxylic acid, 98%, Q27265855, Q27283584, F0001-0409, Z1205493659, 6128-75-2

Application

4-Methylcyclohexanecarboxylic acid is widely used as a building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its cyclohexane ring structure makes it a valuable precursor for the development of chiral compounds and catalysts. Researchers also utilize this compound in the study of stereochemistry and reaction mechanisms due to its defined stereocenters. Additionally, it serves as an intermediate in the production of fragrances and flavoring agents.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (85.7%)

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