Description

The Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester (CAS: 113889-23-9) is a high-purity synthetic ester compound with the molecular formula C₁₄H₂₀O₂. This specialized chemical is designed for advanced research applications, offering exceptional stability and precise molecular structure for controlled experiments. Its unique hexahydro-4,7-methano-1H-indenyl backbone coupled with butanoic ester functionality makes it ideal for catalytic studies, polymer synthesis, and fragrance development. Available in rigorously tested batches (≥95% purity by GC), this product is supplied in amber glass vials under inert atmosphere to ensure long-term integrity. Suitable for GC/MS, NMR, and other analytical techniques.

Properties

• CAS Number: 113889-23-9
• Complexity: 321
• IUPAC Name: 3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate
• InChI: InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3
• InChI Key: KLEHDRXJJZQKPQ-UHFFFAOYSA-N
• Exact Mass: 220.146329876
• Molecular Formula: C14H20O2
• Molecular Weight: 220.31
• SMILES: CCCC(=O)OC1C=CC2C1C3CCC2C3
• Topological: 26.3
• Monoisotopic Mass: 220.146329876
• Physical Description: Liquid
• Synonyms: 113889-23-9, Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester, DTXSID20894241, 639-061-9, KLEHDRXJJZQKPQ-UHFFFAOYSA-N

This compound serves as a key intermediate in organic synthesis, particularly for constructing complex bicyclic frameworks. Researchers utilize it in fragrance chemistry due to its stable terpene-like structure. Its ester functionality enables studies on enzymatic hydrolysis kinetics. The rigid methano-indenyl core makes it valuable for material science applications.

Safety and Hazards

GHS Hazard Statements

• H400 (41.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (76.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
• H411 (23.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, P391, and P501

Hazard Classes and Categories

• Aquatic Acute 1 (41.2%)
• Aquatic Chronic 1 (76.5%)
• Aquatic Chronic 2 (23.5%)

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