(2-Propionyl-5-((2-Ethylthio)Propyl)-Cyclohexane-1,3-Dione
[CAS# 99422-01-2]

Identification

• Name: (2-Propionyl-5-((2-Ethylthio)Propyl)-Cyclohexane-1,3-Dione
• Synonyms: 5-(2-Ethylsulfanylpropyl)-2-Propanoyl-Cyclohexane-1,3-Dione; 5-[2-(Ethylthio)Propyl]-2-(1-Oxopropyl)Cyclohexane-1,3-Dione; 5-[2-(Ethylthio)Propyl]-2-Propionyl-Cyclohexane-1,3-Quinone
• Molecular Formula: C₁₄H₂₂O₃S
• Molecular Weight: 270.39
• CAS Registry Number: 99422-01-2
• SMILES: C(C1CC(C(C(=O)C1)C(=O)CC)=O)C(SCC)C
• InChI: 1S/C14H22O3S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)18-5-2/h9-10,14H,4-8H2,1-3H3
• InChIKey: MMMFVTMCUXGRHD-UHFFFAOYSA-N

Properties

• Density: 1.087g/cm³ (Cal.)
• Boiling point: 423.397°C at 760 mmHg (Cal.)
• Flash point: 179.973°C (Cal.)