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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
06-22 August 2001
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2002
Report date:
2002

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
439-750-2
EC Name:
-
Cas Number:
183487-56-1
Molecular formula:
Hill formula: C17H19BrClNO3 CAS formula: C17H19BrClNO3
IUPAC Name:
(4aR*,8aR*)-1-bromo-4a,5,9,10,11,12- hexahydro-3-methoxy-11-methyl-6H-ben zofuro[3a,3,2-ef][2]benzazepin-6-one hydrochloride
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
- Batch n°: RT002113G3A231
- Analytical purity: 92.9%
- Expiration date: 01 December 2001
- Storage condition: at room temperature

Results and discussion

Water solubility
Key result
Water solubility:
207.9 g/L
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
400 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
Remarks on result:
other: standard deviation +/-9.7g/L
Details on results:
The water solubility was not corrected for the purity of the test item.

Any other information on results incl. tables

 Sample No.  Shaking time at 30°C Concentration analysed (mg/L)  Concentration calculated (g/L) 
 1 72  84.16  210.40 
 2   81.57  203.92 
 3 48  78.89  197.24 
 4   79.29  198.21 
 5 24  87.23  218.08 
 6   87.77  219.42 

From these results a rounded value of 207.88 g/L was calculated . Standard deviation +/- 9.65 g/L

The measured results differed by less than 15%. Therefore, the study is considered to be valid.

Applicant's summary and conclusion

Conclusions:
The water solubility of T002113 was determined by the flask method to be 207.9 g/L at 20°C +/- 0.5°C. T002113 is very soluble.