Description

Methyl 4-hydroxycyclohexanecarboxylate (CAS No. 3618-03-9) is a high-purity cyclohexane derivative with the molecular formula C₈H₁₄O₃. This compound, also known by its IUPAC name methyl 4-hydroxycyclohexane-1-carboxylate, is a versatile intermediate widely used in organic synthesis and pharmaceutical research. Its unique structure, featuring both a hydroxyl group and a methyl ester moiety, makes it valuable for constructing complex molecules. Our product is rigorously tested to ensure ≥98% purity (GC), with detailed analytical data (NMR, MS) available upon request. Supplied in amber glass bottles under inert atmosphere to ensure stability, it is ideal for sensitive applications. Shelf life: 24 months when stored at 2-8°C in anhydrous conditions.

Properties

• CAS Number: 3618-03-9
• Complexity: 136
• IUPAC Name: methyl 4-hydroxycyclohexanecarboxylate
• InChI: InChI=1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
• InChI Key: HYDYVXROZHFTGB-UHFFFAOYSA-N
• Exact Mass: 158.094294304
• Molecular Formula: C8H14O3
• Molecular Weight: 158.19
• SMILES: COC(=O)C1CCC(CC1)O
• Topological: 46.5
• Monoisotopic Mass: 158.094294304
• Synonyms: Methyl 4-hydroxycyclohexanecarboxylate, 17449-76-2, 6125-57-1, 3618-03-9, Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, EINECS 241-464-6, methyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate, DTXSID70169830, DTXCID5092321, rac-methyl (1s,4s)-4-hydroxycyclohexane-1-carboxylate, 241-464-6, 865-939-8, 965-840-0, Methyl trans-4-Hydroxycyclohexanecarboxylate, Methyl cis-4-hydroxycyclohexanecarboxylate, trans-Methyl 4-hydroxycyclohexanecarboxylate, cis-methyl 4-hydroxycyclohexanecarboxylate, TRANS-METHYL4-HYDROXYCYCLOHEXANECARBOXYLATE, methyl 4-hydroxycyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, trans-, MFCD00729087, MFCD20441962, MFCD20441963, cis-4-Hydroxy-cyclohexanecarboxylic acid methyl ester, Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, cis-, SCHEMBL461058, SCHEMBL461059, SCHEMBL603276, HYDYVXROZHFTGB-KNVOCYPGSA-N, HYDYVXROZHFTGB-LJGSYFOKSA-N, SBB054036, AKOS006228430, AKOS024125214, AKOS024462437, methyl 4-hydroxycyclohexane-carboxylate, AC-5137, CS-W002672, CS-W019193, DS-1697, DS-7426, PB48234, SB11016, SB11017, cis-methyl4-hydroxycyclohexanecarboxylate, AS-33898, SY007448, SY025856, SY026489, TS-02103, methyl cis-4-hydroxycyclohexane carboxylate, DB-043976, DB-130209, DB-335797, CS-0048897, M1991, NS00025736, (trans)-methyl 4-hydroxycyclohexanecarboxylate, EN300-154054, M16790, methyl trans-4-hydroxycyclohexane-1-carboxylate, P12760, trans-methyl 4-hydroxycyclohexane-1-carboxylate, EN300-6775458, trans-4-Hydroxycyclohexanecarboxylic acid, O’-methyl, trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester, trans-4-Hydroxy-cyclohexanecarboxylic acid methyl ester, trans-4-Hydroxycyclohexanecarboxylic acid, methyl ester, Z1201620516

Application

Methyl 4-hydroxycyclohexanecarboxylate serves as a key building block in the synthesis of chiral auxiliaries and pharmaceutical intermediates. Researchers utilize its hydroxyl and ester functionalities for selective derivatization in asymmetric synthesis. It has shown utility in developing cyclohexane-based scaffolds for drug discovery programs targeting neurological and metabolic disorders. The compound is also employed in material science for modifying polymer properties through ester hydrolysis or transesterification reactions.

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

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