4-pentylcyclohexanone

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1990-08-15 to 1990-12-13

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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

Key result

Water solubility:

0.11 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

8 mg/L

Temp.:

20 °C

pH:

5.96

Details on results:

(a) Summary
The water solubility of the test item at 20 °C was determined to be 0.11 g/L.

(b) Presentation of the results including calculation and statistical methods
Individual results

1. measurement: 0.118 g/L at pH 6.0
2. measurement: 0.109 g/L at pH 6.0
3. measurement: 0.111 g/L at pH 5.9

Mean concentration 0.113 ± 0.005 g/L
Mean pH value 5.96

(c) discussion
The maximum deviation of the saturation concentration (between the 24 h and 48 h values) was about 8.3 %. No decomposition peaks are visible in the gas chromatogram. Therefore, all three values was used for the calculation of the mean value.

Conclusions:

The water solubility was determined to be 0.11 g/L at 20 °C and pH 6.

Executive summary:

The water solubility was determined according to Regulation (EC) No 440/2008 using the shake flask method with GC analysis. About 80 mg test substance was weighed into 10 mL ampules. After the addition of 10 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The ampoules were opened, filtered through a hydrophilic filter and the concentration of the clear filtrate was determined by gas chromatography. The water solubility of the test substance was determined to be 0.113 ± 0.005 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 5.9 to 6.0).

Description of key information

The water solubility was determined to be 0.11 g/L at 20 °C and pH 6 (reference 4.8 -1).

Key value for chemical safety assessment

Water solubility:

0.11 g/L

at the temperature of:

20 °C

Additional information

The water solubility was determined according to Regulation (EC) No 440/2008 using the shake flask method with GC analysis (reference 4.8 -1). About 80 mg test substance was weighed into 10 mL ampules. After the addition of 10 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The ampoules were opened, filtered through a hydrophilic filter and the concentration of the clear filtrate was determined by gas chromatography. The water solubility of the test substance was determined to be 0.113 ± 0.005 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 5.9 to 6.0).