Iso Propyl Butyrate
[CAS# 6381-11-9]

Identification

• Name: Iso Propyl Butyrate
• Synonyms: 2-[2-Methoxy-6-[(5-Oxo-2-Sulfanylideneimidazolidin-4-Ylidene)Methyl]Phenoxy]Acetic Acid; 2-[2-Methoxy-6-[(Z)-(5-Oxo-2-Thioxo-Imidazolidin-4-Ylidene)Methyl]Phenoxy]Acetic Acid; 2-[2-Methoxy-6-[(5-Oxo-2-Thioxo-Imidazolidin-4-Ylidene)Methyl]Phenoxy]Acetic Acid
• Molecular Formula: C₁₃H₁₂N₂O₅S
• Molecular Weight: 308.31
• CAS Registry Number: 6381-11-9
• SMILES: C2=C(\C=C1\C(NC(N1)=S)=O)C(=C(OC)C=C2)OCC(=O)O
• InChI: 1S/C13H12N2O5S/c1-19-9-4-2-3-7(11(9)20-6-10(16)17)5-8-12(18)15-13(21)14-8/h2-5H,6H2,1H3,(H,16,17)(H2,14,15,18,21)/b8-5-
• InChIKey: NCRIEBLTDDUQBB-YVMONPNESA-N

Properties

• Density: 1.519g/cm³ (Cal.)