(1R,5S)-3,3,5-Trimethylcyclohexyl (2E)-2-butenoate
[CAS# 828912-44-3]

Identification

• Name: (1R,5S)-3,3,5-Trimethylcyclohexyl (2E)-2-butenoate
• Synonyms: (E)-(1R,5S)-3,3,5-trimethylcyclohexyl but-2-enoate
• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.31
• CAS Registry Number: 828912-44-3
• SMILES: C/C=C/C(=O)O[C@@H]1C[C@H](CC(C1)(C)C)C
• InChI: 1S/C13H22O2/c1-5-6-12(14)15-11-7-10(2)8-13(3,4)9-11/h5-6,10-11H,7-9H2,1-4H3/b6-5+/t10-,11-/m1/s1
• InChIKey: YYXFUOKJVHMJDQ-XIJCSBCJSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 256.2±9.0°C at 760 mmHg (Cal.)
• Flash point: 100.6±16.1°C (Cal.)
• Refractive index: 1.468 (Cal.)