Butanal, reaction products with aniline

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study without detailed documentation

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

Principles of method if other than guideline:

1. 1% modifier (acetonitrile) was added to water.
2. The solubility was tested at pH4

GLP compliance:

yes (incl. QA statement)

Other quality assurance:

ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Type of method:

flask method

Water solubility:

5.2 mg/L

Temp.:

20 °C

pH:

4

Remarks on result:

other: 1 % organic solvent additive

Concentrations of the test item in buffer solution pH 4 with 1 % organic solvent additive:

Test at 20 °C	Concentration test 1	Concentration test 2	Concentration test 3	Concentration test 4
Volume of test solution	100 µl test solution 1	100 µl test solution 2	100 µl test solution 3	100 µl test solution 4
Volume of buffer solution pH 4	10 ml	10 ml	10 ml	10 ml
Concentration of the test item	104.9 mg/l	10.49 mg/l	5.245 mg/l	2.6225 mg/l
Appearance	Solution with residue of the test item	Solution with residue of the test item	Solution(limit case)	Solution

Conclusions:

Interpretation of results: slightly soluble (0.1-100 mg/L)
Determination of the water solublity is technically not feasible as the substance reacts quickly in waer forming aniline. In a test similar to OECD Guideline No 105 a water solubility of 5.2 mg/L of the substance in buffer solution pH 4 and addition of 1% acetonitrile was observed.

Executive summary:

The test item is hydrolytically unstable in water but stable in acetonitrile. Therefore a solubility test according to OECD Guideline 105 was carried out based on a stock solution in acetonitrile and different concentration tests of the test item in buffer solution pH 4, containing 1 % acetonitrile were perfomed. A solubility of 5.2 mg/L of the test was observed.

Description of key information

Determination of the water solublity is technically not feasible as the substance reacts quickly in water forming aniline. In a test similar to OECD Guideline No 105 a water solubility of 5.2 mg/L of the substance in buffer solution pH 4 and addition of 1% acetonitrile was observed.

Key value for chemical safety assessment

Water solubility:

5.2 mg/L

at the temperature of:

20 °C

Additional information

The test item is hydrolytically unstable in water but stable in acetonitrile. Therefore a solubility test was carried out based on a stock solution in acetonitrile and different concentration tests of the test item in buffer solution pH 4, containing 1 % acetonitrile were perfomed. It should be noted that the solubility in pure water is expected to be significantly lower, probably < 1mg/L.