Isothiocineole
[CAS# 5718-75-2]

Identification

• Name: Isothiocineole
• Synonyms: (1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
• Molecular Formula: C₁₀H₁₈S
• Molecular Weight: 170.32
• CAS Registry Number: 5718-75-2
• EC Number: 227-219-6

Properties

• Solubility: Very slightly soluble (0.1 g/L) (25 ºC), Calc.^*
• Density: 0.941±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 85-90 ºC (5 Torr)^**
• Flash point: 79.0±15.4 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Illa, Ona; Journal of the American Chemical Society 2010, V132(6), P1828-1830.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	2	H411