[1S-(1alpha,2beta,3alpha,5alpha)]-2,6,6-Trimethylbicyclo[3.1.1]Heptane-3-Carboxylic Acid
[CAS# 58096-27-8]

Identification

• Name: [1S-(1alpha,2beta,3alpha,5alpha)]-2,6,6-Trimethylbicyclo[3.1.1]Heptane-3-Carboxylic Acid
• Synonyms: (1S,3S,5R)-2,6,6-Trimethylnorpinane-3-Carboxylic Acid; (1S,3S,5R)-2,6,6-Trimethyl-3-Norpinanecarboxylic Acid; (1S-(1Alpha,2Beta,3Alpha,5Alpha))-2,6,6-Trimethylbicyclo(3.1.1)Heptane-3-Carboxylic Acid
• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.26
• CAS Registry Number: 58096-27-8
• EINECS: 261-115-1
• SMILES: [C@H]12C([C@H](C1)C[C@@H](C2C)C(=O)O)(C)C
• InChI: 1S/C11H18O2/c1-6-8(10(12)13)4-7-5-9(6)11(7,2)3/h6-9H,4-5H2,1-3H3,(H,12,13)/t6?,7-,8-,9-/m0/s1
• InChIKey: YCJJWXPLEWSYFQ-UYXKVSBOSA-N

Properties

• Density: 1.036g/cm³ (Cal.)
• Boiling point: 267.368°C at 760 mmHg (Cal.)
• Flash point: 128.792°C (Cal.)