5-(2-Octylsulfinylpropyl)-1,3-Benzodioxole
[CAS# 120-62-7]

Identification

• Classification: Chemical reagent >> Organic reagent >> Sulfone, sulfoxide compound
• Name: 5-(2-Octylsulfinylpropyl)-1,3-Benzodioxole
• Synonyms: 1,2-(Methylenedioxy)-4-[2-(Octylsulfinyl)Propyl]Benzene; 1,2-Methoxylenedioxy-4-[2-(Octylsulfinyl)Propyl]-Benzene; 1,2-Methylenedioxy-4-[2-(Octylsulfinyl)Propyl]Benzene
• Molecular Formula: C₁₈H₂₈O₃S
• Molecular Weight: 324.48
• CAS Registry Number: 120-62-7
• EINECS: 204-412-3
• SMILES: C1=C(CC([S](CCCCCCCC)=O)C)C=CC2=C1OCO2
• InChI: 1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3
• InChIKey: ATTZFSUZZUNHBP-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 485.2±24.0°C at 760 mmHg (Cal.)
• Flash point: 247.3±22.9°C (Cal.)

References

• (1): Suneel P. Singh, Jennifer S. O'Donnell and Adrian L. Schwan. Nucleophilic attack of 2-sulfinyl acrylates: A mild and general approach to sulfenic acid anions, Org. Biomol. Chem., 2010, 8, 1712.