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Physical & Chemical properties

Water solubility

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Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2021-06-11 to 2021-07-27
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Water solubility:
2.41 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
280 mg/L
Incubation duration:
24 h
Temp.:
20 °C
pH:
>= 6.12 - <= 6.34
Remarks on result:
not determinable
Remarks:
The water solubility of the test item could not be determined, because of rapid hydrolysis of the test item.
Water solubility:
2.25 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
280 mg/L
Incubation duration:
48 h
Temp.:
20 °C
pH:
>= 6.35 - <= 6.47
Remarks on result:
not determinable
Remarks:
The water solubility of the test item could not be determined, because of rapid hydrolysis of the test item.
Water solubility:
1.18 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
280 mg/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 6.36 - <= 6.42
Remarks on result:
not determinable
Remarks:
The water solubility of the test item could not be determined, because of rapid hydrolysis of the test item.

The determined values of the test item in water were 2.41 mg/L (24 hours), 2.25 mg/L (48 hours) and 1.18 mg/L (72 hours). All values were below the lowest calibration level and are to be seen as estimated values. Thus, the values decreased with increasing incubation time. This is due to hydrolytical degradation of the test item to the compound Dimethyl Octenol (DMOE). From the results it is obvious that the concentrations of DMOE were higher than the concentrations of the test item and increased over time. The mean values of DMOE were found to be 24.4 mg/L (24 hours), 53.6 mg/L (48 hours) and 67.4 mg/L (72 hours).


Thus, the water solubility of the test item could not be determined, because it hydrolysed rapidly into the hydrolysis product Dimethyl Octenol.


































Shaking time / h



Determined concentration of test item / mg/L



Mean test item / mg/L



Determined concentration of DMOE / mg/L



Mean DMOE / mg/L



24



2.04


2.78



2.41



23.6


25.1



24.4



48



1.79


2.70



2.25



51.3


55.8



53.6



72



1.20


1.16



1.18



66.7


68.0



67.4



In order to representative the concentrations of the test item under the conditions of an ecotoxicology test, a degradation test was carried out. The test item was kept for a period of 24 hours at a concentration of approximately 1.03 g/L in ISO medium (test medium for acute daphnia toxicity test, OECD 202) under the conditions of a daphnia toxicity test in a closed vessel. After periods of 0, 0.5, 1, 2, 4, 8 and 24 hours samples were analysed for the concentrations of the test item and the hydrolysis product DMOE. The mean concentrations of the test item decreased from initially 1.06 mg/L (corresponding to 103 % of nominal) at the start of the test to 0.213 mg/L (corresponding to 21 % of nominal) after 24 hours. The mean concentrations of DMOE increased from initially 0.0053 mg/L to 0.352 mg/L after 24 hours.


 






















































Timepoint / h



Nominal Concentration of Test Item / mg/L



Determined Concentration of Test Item (mean) / mg/L



Determined Concentration of DMOE (mean) / mg/L



0



1.03



1.06



n.a.



0.5



1.03



0.952



0.0238



1



1.03



0.924



0.0404



2



1.03



0.794



0.0656



4



1.03



0.754



0.122



8



1.03



0.558



0.191



24



1.03



0.213



0.352


Conclusions:
The water solubility of the test item could not be determined, because of rapid hydrolysis of the test item.
Executive summary:

The water solubility of the test item was determined in an experimental study under GLP conditions according to OECD Test Guideline 105, using the flask method. The test item concentration was analysed by gas chromatography with mass spectrometric detection. The water solubility of the test item could not be determined, because of rapid hydrolysis of the test item. The determined mean values of the test item in water were 2.41 mg/L (24 hours), 2.25 mg/L (48 hours) and 1.18 mg/L (72 hours). The concentrations of the hydrolysis product Dimethyl octenol (DMOE) were also evaluated in the samples. The mean values of DMOE were found to be 24.4 mg/L (24 hours), 53.6 mg/L (48 hours) and 67.4 mg/L (72 hours). Thus, no defined value for the water solubility of the test item can be given.


In addition, a stability test in an ecotoxicology test medium was carried out. The test item was kept for a period of 24 hours at a concentration of 1.03 mg/L in ISO medium (test medium for acute daphnia toxicity test, OECD 202) under the conditions of a daphnia toxicity test in a closed vessel. After periods of 0, 0.5, 1, 2, 4, 8 and 24 hours, samples were analysed for the concentrations of the test item and the hydrolysis product DMOE. The mean concentrations of the test item decreased from initially 1.06 mg/L (corresponding to 103 % of nominal) at the start of the test to 0.213 mg/L (corresponding to 21 % of nominal) after 24 hours. The mean concentrations of DMOE increased from initially 0.0053 mg/L to 0.352 mg/L after 24 hours.

Description of key information

The water solubility of the test item could not be determined, because of rapid hydrolysis of the test item.

Key value for chemical safety assessment

Additional information

The water solubility of the test item was determined in an experimental study under GLP conditions according to OECD Test Guideline 105, using the flask method. The test item concentration was analysed by gas chromatography with mass spectrometric detection. The water solubility of the test item could not be determined, because of rapid hydrolysis of the test item. The determined mean values of the test item in water were 2.41 mg/L (24 hours), 2.25 mg/L (48 hours) and 1.18 mg/L (72 hours). The concentrations of the hydrolysis product Dimethyl octenol (DMOE) were also evaluated in the samples. The mean values of DMOE were found to be 24.4 mg/L (24 hours), 53.6 mg/L (48 hours) and 67.4 mg/L (72 hours). Thus, no defined value for the water solubility of the test item can be given.


In addition, a stability test in an ecotoxicology test medium was carried out. The test item was kept for a period of 24 hours at a concentration of 1.03 mg/L in ISO medium (test medium for acute daphnia toxicity test, OECD 202) under the conditions of a daphnia toxicity test in a closed vessel. After periods of 0, 0.5, 1, 2, 4, 8 and 24 hours, samples were analysed for the concentrations of the test item and the hydrolysis product DMOE. The mean concentrations of the test item decreased from initially 1.06 mg/L (corresponding to 103 % of nominal) at the start of the test to 0.213 mg/L (corresponding to 21 % of nominal) after 24 hours. The mean concentrations of DMOE increased from initially 0.0053 mg/L to 0.352 mg/L after 24 hours.