Isooctyl [(2,3-Dihydroxypropyl)Thio]Acetate
[CAS# 54575-17-6]

Identification

• Name: Isooctyl [(2,3-Dihydroxypropyl)Thio]Acetate
• Synonyms: 2-(2,3-Dihydroxypropylthio)Acetic Acid 6-Methylheptyl Ester; 2-(Glycerylthio)Acetic Acid 6-Methylheptyl Ester; 6-Methylheptyl 2-(2,3-Dihydroxypropylsulfanyl)Ethanoate
• Molecular Formula: C₁₃H₂₆O₄S
• Molecular Weight: 278.41
• CAS Registry Number: 54575-17-6
• EINECS: 259-240-1
• SMILES: C(OC(=O)CSCC(O)CO)CCCCC(C)C
• InChI: 1S/C13H26O4S/c1-11(2)6-4-3-5-7-17-13(16)10-18-9-12(15)8-14/h11-12,14-15H,3-10H2,1-2H3
• InChIKey: SHQAGQOCMDSNQH-UHFFFAOYSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 410.297°C at 760 mmHg (Cal.)
• Flash point: 201.941°C (Cal.)