(1R,4E,5S)-4-(Hydroxymethylene)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
[CAS# 798554-40-2]

Identification

• Name: (1R,4E,5S)-4-(Hydroxymethylene)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
• Synonyms: (1R,5S,E)-4-(hydroxymethylene)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
• Molecular Formula: C₁₁H₁₆O₃
• Molecular Weight: 196.24
• CAS Registry Number: 798554-40-2
• SMILES: C[C@@]12CC[C@@H](C1(C)C)/C(=C\O)/C(=O)O2
• InChI: 1S/C11H16O3/c1-10(2)8-4-5-11(10,3)14-9(13)7(8)6-12/h6,8,12H,4-5H2,1-3H3/b7-6+/t8-,11-/m1/s1
• InChIKey: OYJFEASTOPPEKV-CXBYFFTPSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 319.041°C at 760 mmHg (Cal.)
• Flash point: 135.279°C (Cal.)
• Refractive index: 1.579 (Cal.)