Description

Ethyl cyclohexanecarboxylate (CAS 3289-28-9) is a high-purity ester compound with the molecular formula C₉H₁₆O₂. This versatile organic reagent is widely utilized in synthetic chemistry, fragrance formulation, and pharmaceutical research. The compound presents as a clear, colorless to pale yellow liquid with a characteristic fruity-ester odor. With a purity grade of ≥98% (GC), our product is rigorously tested to ensure consistency for sensitive applications. Suitable for use as a solvent, intermediate, or flavor/fragrance component, this compound offers excellent stability under standard laboratory conditions. Packaged in amber glass bottles under inert gas to prevent degradation.

Key Specifications:
– Molecular Weight: 156.22 g/mol
– Boiling Point: 195-197°C
– Density: 0.965 g/mL at 25°C
– Refractive Index: n²⁰_D 1.438-1.442
– Flash Point: 72°C (closed cup)

Properties

• CAS Number: 3289-28-9
• Complexity: 126
• IUPAC Name: ethyl cyclohexanecarboxylate
• InChI: InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3
• InChI Key: JJOYCHKVKWDMEA-UHFFFAOYSA-N
• Exact Mass: 156.115029749
• Molecular Formula: C9H16O2
• Molecular Weight: 156.22
• SMILES: CCOC(=O)C1CCCCC1
• Topological: 26.3
• Monoisotopic Mass: 156.115029749
• Physical Description: Liquid; cheese-like odour
• Boiling Point: 82.00 °C. @ 12.00 mm Hg
• Solubility: Insoluble in water; soluble in fat
• Density: 0.966-0.978
• Refractive Index: 1.447-1.454
• Synonyms: Ethyl cyclohexanecarboxylate, cyclohexanecarboxylic acid ethyl ester, Ethyl hexahydrobenzoate, CYCLOHEXANECARBOXYLIC ACID, ETHYL ESTER, Ethoxycarbonylcyclohexane, ethyl cyclohexanoate, Ethyl cyclohexylcarboxylate, FEMA No. 3544, EINECS 221-945-7, BRN 2042698, UNII-87937T10YQ, AI3-07031, NSC-5298, 87937T10YQ, DTXSID7062958, CHEBI:88965, FEMA 3544, 4-09-00-00018 (Beilstein Handbook Reference), ETHYL CYCLOHEXANECARBOXYLATE [FHFI], DTXCID7038600, 221-945-7, jjoychkvkwdmea-uhfffaoysa-n, 3289-28-9, Ethyl cyclohexylformate, Ethyl cyclohexylmethanoate, Ethyl cylcohexanecarboxylate, NSC 5298, MFCD00041734, Ethyl cyclohexanocarboxylate, ethyl cyclohexane carboxylate, Ethylcyclohexanecarboxylate, 2-ethoxycarbonylcyclohexane, 4-ethoxycarbonylcyclohexane, ethyl cyclohexyl-carboxylate, SCHEMBL18888, SCHEMBL29197, SCHEMBL63153, ethyl 2-cyclohexanecarboxylate, ethyl 4-cyclohexanecarboxylate, SCHEMBL707156, SCHEMBL1414061, SCHEMBL2289470, SCHEMBL2293450, SCHEMBL9834573, SCHEMBL11473193, SCHEMBL17870979, SCHEMBL17871025, SCHEMBL19097520, NSC5298, DAA28928, AKOS005255069, cyclohexane carboxylic acid ethyl ester, AS-15352, DB-013160, CS-0187422, NS00022058, ST50824582, E77025, EN300-155929, Q27161060, Z53835749

Application

Ethyl cyclohexanecarboxylate serves as a valuable building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. In fragrance applications, it contributes sweet, fruity notes to cosmetic and personal care formulations. Researchers employ this ester as a solvent for various chemical reactions due to its moderate polarity and good dissolving power. The compound also finds use as a flavoring agent in food additive research, imparting berry-like characteristics.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 90 of 91 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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