2-(6'-Methylheptanol-1'-Yl)-3-Hydroxymethyl-4-Butanolide
[CAS# 84666-71-7]

Identification

• Name: 2-(6'-Methylheptanol-1'-Yl)-3-Hydroxymethyl-4-Butanolide
• Synonyms: 4-(Hydroxymethyl)-3-(1-Hydroxy-6-Methyl-Heptyl)Tetrahydrofuran-2-One; 4-(Hydroxymethyl)-3-(1-Hydroxy-6-Methylheptyl)-2-Tetrahydrofuranone; 3-(1-Hydroxy-6-Methyl-Heptyl)-4-Methylol-Tetrahydrofuran-2-One
• Molecular Formula: C₁₃H₂₄O₄
• Molecular Weight: 244.33
• CAS Registry Number: 84666-71-7
• SMILES: C(C(C1C(OCC1CO)=O)O)CCCC(C)C
• InChI: 1S/C13H24O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-12,14-15H,3-8H2,1-2H3
• InChIKey: XRKZVXDFKCVICZ-UHFFFAOYSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 414.859°C at 760 mmHg (Cal.)
• Flash point: 152.998°C (Cal.)