3-{(3E)-6-[(1S,2S)-2-Hydroxy-2,6,6-trimethylcyclohexyl]-4-methyl-3-hexen-1-yl}-5-methoxy-2(5H)-furanone
[CAS# 76215-28-6]

Identification

• Name: 3-{(3E)-6-[(1S,2S)-2-Hydroxy-2,6,6-trimethylcyclohexyl]-4-methyl-3-hexen-1-yl}-5-methoxy-2(5H)-furanone
• Synonyms: 2(5H)-Furanone, 3-[(3E)-6-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-4-methyl-3-hexen-1-yl]-5-methoxy-; 3-{(3E)-6-[(1S,2S)-2-Hydroxy-2,6,6-trimethylcyclohexyl]-4-methyl-3-hexen-1-yl}-5-methoxy-2(5H)-furanon; 3-{(3E)-6-[(1S,2S)-2-Hydroxy-2,6,6-trimethylcyclohexyl]-4-methyl-3-hexen-1-yl}-5-methoxy-2(5H)-furanone
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.49
• CAS Registry Number: 76215-28-6
• SMILES: C/C(=C\CCC1=CC(OC1=O)OC)/CC[C@@H]2[C@@](CCCC2(C)C)(C)O
• InChI: 1S/C21H34O4/c1-15(8-6-9-16-14-18(24-5)25-19(16)22)10-11-17-20(2,3)12-7-13-21(17,4)23/h8,14,17-18,23H,6-7,9-13H2,1-5H3/b15-8+/t17-,18?,21-/m0/s1
• InChIKey: XCMQDKISWYFCMG-JRIUUWIDSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 485.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 161.9±22.2°C (Cal.)