2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl Acetate
[CAS# 39776-80-2]

Identification

• Name: 2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl Acetate
• Synonyms: [1S-(1α,2α,3α,5α)]-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate; [1S-(1α,2α,3β,5α)]-3,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate; [1S-(1α,2β,3α,5α)]-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate
• Molecular Formula: C₁₂H₂₀O₂
• Molecular Weight: 196.29
• CAS Registry Number: 39776-80-2
• EINECS: 254-626-6
• SMILES: O=C(OC2CC1CC(C1(C)C)C2C)C
• InChI: 1S/C12H20O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3
• InChIKey: KKZUXVTWZQWUSI-UHFFFAOYSA-N

Properties

• Density: 1.004g/cm³ (Cal.)
• Boiling point: 227.988°C at 760 mmHg (Cal.)
• Flash point: 91.654°C (Cal.)