(Z)-2-Methyl-4-propyl-1,3-oxathiane

• CAS: 59323-76-1
• Catalog Number: ACM59323761
• Category: Other Products
• Molecular Weight: 160.28
• Molecular Formula: C8H16OS
• Synonyms: Cis-galbanum oxathiane
• IUPAC Name: (2R,4S)-2-Methyl-4-propyl-1,3-oxathiane
• Canonical SMILES: CCCC1CCOC(S1)C
• InChI: InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
• InChI Key: GKGOLPMYJJXRGD-SFYZADRCSA-N
• Boiling Point: 226.5±33.0 °C
• Flash Point: 74 °C
• Density: 0.937±0.06 g/cm³
• Solubility: water, 672.1 mg/L @ 25 °C (est)
• Appearance: Colorless to pale yellow clear liquid (est)
• Assay: 0.98
• EC Number: 614-109-1
• Exact Mass: 160.0921863
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Isomeric SMILES: CCC[C@H]1CCO[C@H](S1)C
• Monoisotopic Mass: 160.0921863
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.459-1.463(lit.)
• Topological Polar Surface Area: 34.5 Ų