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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:
From 2004-04-21 to 2004-06-23
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004
Report date:
2004

Materials and methods

Test guideline
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:
1,5-dimethyl 3-methyl-9-oxo-2,4-bis(pyridin-2-yl)-7-[(pyridin-2-yl)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate dichloroiron hydrate
EC Number:
610-388-9
Cas Number:
478945-46-9
Molecular formula:
C28H31N5O6FeCl2
IUPAC Name:
1,5-dimethyl 3-methyl-9-oxo-2,4-bis(pyridin-2-yl)-7-[(pyridin-2-yl)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate dichloroiron hydrate
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: S2539801
- Expiration date of the lot/batch:
- Purity test date: 2004-11-12

RADIOLABELLING INFORMATION (if applicable) no

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
ambient/dark

TREATMENT OF TEST MATERIAL PRIOR TO TESTING: no

Results and discussion

Water solubilityopen allclose all
Key result
Water solubility:
77.3 g/L
Conc. based on:
test mat.
Incubation duration:
48 h
Temp.:
20 °C
pH:
2.7
Remarks on result:
other: Time shaken at 30°C: 24H + time equilibrated at 20°C: 24H
Key result
Water solubility:
77.2 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
2.7
Remarks on result:
other: Time shaken at 30°C: 48H + time equilibrated at 20°C: 24H
Key result
Water solubility:
78.1 g/L
Conc. based on:
test mat.
Incubation duration:
96 h
Temp.:
20 °C
pH:
2.8
Remarks on result:
other: Time shaken at 30°C: 72H + time equilibrated at 20°C: 24H
Key result
Water solubility:
77.5 g/L
Temp.:
20 °C
Remarks on result:
other: Mean concentration
Details on results:
The preliminary estimate of water solubility was 80.0 g/l.
Validation: the linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 160 mg/l. This was satisfatory with a correlation coefficient of 1.00 being obtained.
It is evident from the information obtained in the hydrolysis study and data relating to pH of the test material in water that negligible hydrolysis of the sample solution occurred during the course of the water solubility test.

Applicant's summary and conclusion

Conclusions:
The water solubility of the test material has been determined to be 77.5 g/L of solution at 20+/-0.5°C
Executive summary:

The purpose of the study was to determine the water solubility of the test material according to A6 method and following GLP. The shake flask method was used. The water solubility of the test material has been determined to be 77.5 g/L of solution at 20+/-0.5°C.