4-Mercapto-4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)Butan-2-One
[CAS# 40790-02-1]

Identification

• Name: 4-Mercapto-4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)Butan-2-One
• Synonyms: 4-Mercapto-4-(2,6,6-Trimethyl-1-Cyclohexenyl)Butan-2-One; 4-Mercapto-4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)Butan-2-One
• Molecular Formula: C₁₃H₂₂OS
• Molecular Weight: 226.38
• CAS Registry Number: 40790-02-1
• EINECS: 255-083-8
• SMILES: C(C(S)C1=C(CCCC1(C)C)C)C(=O)C
• InChI: 1S/C13H22OS/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h11,15H,5-8H2,1-4H3
• InChIKey: DOQZSHAHBHVWFG-UHFFFAOYSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 296.837°C at 760 mmHg (Cal.)
• Flash point: 133.323°C (Cal.)