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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26 March 2010 - 05 July 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study has been performed according to OECD and EC guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

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:
4-methyloxazole-5-carbonitrile
EC Number:
213-709-7
EC Name:
4-methyloxazole-5-carbonitrile
Cas Number:
1003-52-7
Molecular formula:
C5H4N2O
IUPAC Name:
4-methyl-1,3-oxazole-5-carbonitrile
Details on test material:
Name of test material (as cited in study report): CMO
Molecular formula: C5H4N2O
Molecular weight: 108.1
Substance type: Clear colourless liquid
Physical state: liquid
Analytical purity: 99.9%
Impurities (identity and concentrations): -
Composition of test material, percentage of components: -
Isomers composition: -
Purity test date: -
Lot/batch No.: 485
Expiration date of the lot/batch: 04 December 2010
Stability under storage conditions: stable
Storage condition of test material: In refrigerator (2-8°C) in the dark under nitrogen
Other: Hygroscopic

Results and discussion

Water solubility
Water solubility:
51.2 g/L
Temp.:
20 °C
pH:
5.6

Any other information on results incl. tables

Main study - water solubility of the test substance

Stirring time

[hours]

Analysed concentration
[g/l]

Mean

[g/l]

MD

[%]

pH

 

 

 

 

 

24

50.6

51.2

3.1

6.6

 

 

 

 

 

48

51.0

 

 

6.3

 

 

 

 

 

72

52.1

 

 

5.6

 

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The flask method was chosen for the determination of the water solubility of CMO.

The water solubility of the test substance at 20°C was 51.2 g/l. The pH of the aqueous sample after 72 hours stirring was 5.6.