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EC number: 611-044-0 | CAS number: 53784-84-2
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 08 January 2016 - 06 June 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- validated analytical method used for quantification of the water samples
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2014
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Version / remarks:
- 1998
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- column elution method
Test material
- Reference substance name:
- (1R,3R,5S,6R,8S,10S,11S,13R,15S,16R,18R,20S,21R,23S,25S,26S,28R,30S,31R,33S,35S,36S,38R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹.2³³,³⁶]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
- EC Number:
- 611-044-0
- Cas Number:
- 53784-84-2
- Molecular formula:
- C48H72Br8O32
- IUPAC Name:
- (1R,3R,5S,6R,8S,10S,11S,13R,15S,16R,18R,20S,21R,23S,25S,26S,28R,30S,31R,33S,35S,36S,38R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹.2³³,³⁶]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Appearance: off-white powder
- Storage condition of test material: At room temperature
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- 0.657 mg/L
- Temp.:
- 20 °C
- pH:
- 6.2
- Remarks on result:
- other: Flowrate 24 mL/h. Mean of 10 samples. CV= 11%.
- Water solubility:
- 0.715 mg/L
- Temp.:
- 20 °C
- pH:
- 6.3
- Remarks on result:
- other: Flowrate 12 mL/h. Mean of 10 samples. CV= 3.6%.
- Key result
- Water solubility:
- 0.686 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.2 - <= 6.3
- Remarks on result:
- other: mean value (maximum difference= 8.5%)
- Details on results:
- The coefficient of variation (CV) (n=10) was ≤ 30% at both flow rates. It demonstrated that the system was equilibrated at all flow rates.
The maximum difference on the mean values at both flow rates was ≤ 30%. The water solubility of the substance is given as the mean value of these measurements: 0.686 mg/L.
Any other information on results incl. tables
Small responses at the retention time of the test item were found in the samples from the blank column at both flow rates. This was probably caused by carry-over since a higher response was found in the analytical blank.The maximum contribution to the samples at a flow rate of 24 mL/h was 0.2% and 0.5 % to the samples at a flow rate of 12 mL/h. It was considered that it has no significant effect on the results of the test samples.
Applicant's summary and conclusion
- Conclusions:
- The water solubility at 20°C was determined to be 0.686 mg/L.
- Executive summary:
The water solubility of the substance was determined using the column elution method in a GLP study according to EC A.6, OECD 105 and OPPTS 830.7840.
Quantification was performed by UPLC-MS/MS. The water solubility at 20°C was determined to be 0.686 mg/L. The pH of the aqueous samples was 6.2 -6.3.
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