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EC number: 807-130-4
CAS number: 53716-82-8
Preliminary test results:
Concentration [% w/w]
Solution was clear colorless with no signs of excess test item.
Solution was colorless, slightly cloudy, with no signs of excess test item.
Solution had two distinct layers, lower layer was a clear yellow liquid, upper layer was slightly hazy colorless solution. Partition 4 mm lower layer, 12 mm upper layer.
Unhomogeneous phase present at the topmost part of the solution (approximately 2 mm), hazy pale yellow solution at the bottom of the solution, approximately 18 mm.
Unhomogeneous phase present at the topmost part of the solution (approximately 2 mm), hazy pale yellow solution at the bottom of the solution, approximately 16 mm.
Clear pale yellow solution with no sign of excess test item.
Preliminary test result: water
solubility in the range 25 to 50% w/w at 20.0 ± 0.5 ºC. Note that from
75% w/w the test item shows varying signs of absorption of water, or the
water is soluble in the test item.
Definitive test results:
The results of the definitive test
for the water solubility are shown in the following table:
Clear yellow single-phase solution, no presence of excess test item
Temperature: 20.0 ± 0.5°C
Observation: "Clear yellow single
phase solution, no presence of excess test item" for nine samples at
various concentrations between 30.1 and 52.6 % w/w.
The water solubility of the test
item has been determined to be in the range of 52.6 to 90.0% w/w of
solution at 20.0 ± 0.5°C.
Water solubility: ≥560
g/L at 20°C and pH 3.09 - 3.1 (applies to both Cyrene™
and Gem Diol forms)
Water solubility in the range 52.6
to 90.0 w/w% at 20.0 ± 0.5°C and pH 3.09 - 3.15 was determined for
Cyrene™ using a flask method with visual observation. During the study,
it was observed that the standard test guidelines, OECD 105/EU Method
A.6 are not applicable to the test substance due to the high
indeterminable saturation levels produced. It was not possible to
prepare samples at five times the saturation level as recommended in the
guidelines. No analysis could be performed due to the high solubility
producing unfilterable mixtures. Therefore, the water
solubility of Cyrene™ was determined based on visual inspection. The
result is considered to be reliable.
A water solubility of ≥50
w/w% is equivalent to approximately ≥560
g/L (see calculation below).
In contact with water, the ketone
group in Cyrene™ ((1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one) hydrates
to give the Gem Diol form. This hydration is fully reversible and a
dynamic equilibrium is established (see attached document in Section 13
for further details).
50% w/w Cyrene™
and water there would be a mixture of Cyrene™
and Gem Diol forms present. Both species are predicted to be highly
water soluble and the indicative value of 560 g/L is applied to both
forms. Any remaining uncertainty in the value of water solubility is not
considered to be important for the chemical safety assessment as the
water solubility is very high.
of water solubility
The substance is soluble at 50%
w/w and above.
Density of Cyrene™ 1.25 g/cm3.
Density of water is 1 g/cm3.
For x kg of solution, there are
0.5x kg of Cyrene™ and 0.5x kg of water.
Volume of Cyrene™ = 0.5x kg / 1.25
kg/L = 0.4x L
Vol of water = 0.5x kg / 1 kg/L =
Total volume of solution = 0.9x L
Concentration of Cyrene™ = 500x g
/ 0.9x L = 560 g Cyrene™ /L solution
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