[1R-(1alpha,2beta,5alpha)]-6,6-Dimethylbicyclo[3.1.1]Heptan-2-Acetic Acid
[CAS# 54631-12-8]

Identification

• Name: [1R-(1alpha,2beta,5alpha)]-6,6-Dimethylbicyclo[3.1.1]Heptan-2-Acetic Acid
• Synonyms: 2-[(1R,2R,5S)-6,6-Dimethylnorpinan-2-Yl]Acetic Acid; 2-[(1R,2R,5S)-6,6-Dimethyl-2-Norpinanyl]Acetic Acid; 2-[(1R,2R,5S)-7,7-Dimethyl-2-Bicyclo[3.1.1]Heptanyl]Ethanoic Acid
• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.26
• CAS Registry Number: 54631-12-8
• EINECS: 259-264-2
• SMILES: [C@@H]12C([C@H](C1)CC[C@@H]2CC(=O)O)(C)C
• InChI: 1S/C11H18O2/c1-11(2)8-4-3-7(5-10(12)13)9(11)6-8/h7-9H,3-6H2,1-2H3,(H,12,13)/t7-,8+,9-/m1/s1
• InChIKey: GEVYGCFPYCDBEW-HRDYMLBCSA-N

Properties

• Density: 1.037g/cm³ (Cal.)
• Boiling point: 278.755°C at 760 mmHg (Cal.)
• Flash point: 134.221°C (Cal.)