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Description of key information

(1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one (Cyrene™) is a liquid at ambient temperature and pressure, with a measured freezing point of <-20°C and a measured boiling point of 227°C at 100.7 kPa. It has a measured relative density of 1.25 at 20°C and measured vapour pressure value of 28 Pa at 25°C. Cyrene™ has a measured surface tension value of 72.5 mN/m at 22°C for a nominal concentration of 1 g/L and viscosity values of 13.81 mPa.s at 20°C and 6.95 mPa.s at 40°C.

In the presence of water, Cyrene™ forms a reversible dynamic equilibrium with the geminal diol or Gem Diol [C(OH)2]. This is discussed further in the attached document in Section 13. At concentrations relevant for studies of aqueous physicochemical properties, the Gem Diol form predominates. Therefore, the measured water-based values are considered relevant for both form.

Cyrene™/Gem Diol has a water solubility of 52.6 to 90 w/w% at 20°C and pH 3.09 to 3.15 (determined by visual inspection), and a measured log Kow value of -1.52 at 22°C and pH 5.18 to 5.24.

Cyrene™ is not classified for flammability in accordance with Regulation (EC) No. 1272/2008 on the basis of a measured flash point of 108°C at 101.9 kPa and measured boiling point of 227°C at 100.7 kPa. It has a measured auto-ignition temperature of 296°C at 100.3 to 101.3 kPa and is not explosive and not oxidising on the basis of structural examination. Cyrene™ is determined to be non-hazardous as no gases were evolved in any of the four steps under the conditions of an EU Test Method A.12.

Additional information