Ketosteril
[CAS# 68934-50-9]

Identification

• Name: Ketosteril
• Synonyms: 2-Hydroxy-4-Methylsulfanyl-Butanoic Acid; 3-Methyl-2-Oxo-Butanoic Acid; 3-Methyl-2-Oxo-Pentanoic Acid; 4-Methyl-2-Oxo-Pentanoic Acid; 2-Oxo-3-Phenyl-Propanoic Acid; 2-Hydroxy-4-(Methylthio)Butanoic Acid
• Molecular Formula: C₃₁H₄₆O₁₅S
• Molecular Weight: 690.76
• CAS Registry Number: 68934-50-9
• SMILES: C(C(O)C(=O)O)CSC.C1=C(CC(=O)C(=O)O)C=CC=C1.C(C(C(=O)C(=O)O)C)C.O=C(C(=O)O)C(C)C.C(C(=O)C(=O)O)C(C)C
• InChI: 1S/C9H8O3.2C6H10O3.C5H10O3S.C5H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-9-3-2-4(6)5(7)8;1-3(2)4(6)5(7)8/h1-5H,6H2,(H,11,12);2*4H,3H2,1-2H3,(H,8,9);4,6H,2-3H2,1H3,(H,7,8);3H,1-2H3,(H,7,8)
• InChIKey: GYVADCQLHHMYLW-UHFFFAOYSA-N

Properties

• Boiling point: 299.1°C at 760 mmHg (Cal.)
• Flash point: 148.9°C (Cal.)