p-Mentha-8-Thiol-3-One Acetate
[CAS# 63299-27-4]

Identification

• Name: p-Mentha-8-Thiol-3-One Acetate
• Synonyms: 2-[(1R,2R,5R)-2-Isopropyl-5-Methyl-1-[(Z)-10-(6-Oxoheptylsulfanyl)Dec-9-Enyl]Cyclohexyl]Acetate; 2-[(1R,2R,5R)-2-Isopropyl-5-Methyl-1-[(Z)-10-(6-Oxoheptylthio)Dec-9-Enyl]Cyclohexyl]Acetate; 2-[(1R,2R,5R)-2-Isopropyl-1-[(Z)-10-(6-Ketoheptylthio)Dec-9-Enyl]-5-Methyl-Cyclohexyl]Acetate
• Molecular Formula: C₂₉H₅₁O₃S
• Molecular Weight: 479.78
• CAS Registry Number: 63299-27-4
• SMILES: [C@]1([C@H](CC[C@H](C1)C)C(C)C)(CCCCCCCC\C=C/SCCCCCC(=O)C)CC([O-])=O
• InChI: 1S/C29H52O3S/c1-24(2)27-18-17-25(3)22-29(27,23-28(31)32)19-13-9-7-5-6-8-10-14-20-33-21-15-11-12-16-26(4)30/h14,20,24-25,27H,5-13,15-19,21-23H2,1-4H3,(H,31,32)/p-1/b20-14-/t25-,27-,29-/m1/s1
• InChIKey: VNIYPWPZXNKNAK-OWBNEVBOSA-M

Properties

• Boiling point: 608.216°C at 760 mmHg (Cal.)
• Flash point: 321.638°C (Cal.)