Isobornyl butyrate

• CAS: 58479-55-3
• Catalog Number: ACM58479553
• Category: Other Products
• Molecular Weight: 224.34
• Molecular Formula: C₁₄H₂₄O₂
• Synonyms: exo-bornyl butyrate;Butanoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo2.2.1hept-2-yl ester, rel-;[(4R)-1,7,7-Trimethyl-5-bicyclo[2.2.1]heptanyl] butanoate;Isobornyl butyrate;Butyric acid isobornyl ester
• IUPAC Name: [(1S,2S,4S)-1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate
• Canonical SMILES: CCCC(=O)OC1CC2CCC1(C2(C)C)C
• InChI: InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3/t10-,11-,14+/m0/s1
• InChI Key: VIPNQHBVIDJXJE-COPLHBTASA-N
• Density: 0.98g/cm³
• Exact Mass: 224.177630004
• Isomeric SMILES: CCCC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C
• Monoisotopic Mass: 224.177630004
• Topological Polar Surface Area: 26.3 Ų