Schiff bases, benzylidene, C16-18 (even numbered) and C18-unsaturated alkyl

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 19 March 2016 Experimental completion date: 19 April 2016

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Schiff bases, benzylidene, C16-18 (even numbered) and C18-unsaturated alkyl

Molecular formula:

Not applicable - UVCB

IUPAC Name:

Schiff bases, benzylidene, C16-18 (even numbered) and C18-unsaturated alkyl

Constituent 2

Reference substance name:

Benzaldehyde

EC Number:

202-860-4

EC Name:

Benzaldehyde

Cas Number:

100-52-7

Molecular formula:

C7H6O

IUPAC Name:

benzaldehyde

Test material form:

liquid

Specific details on test material used for the study:

Information as provided by the Sponsor. The Certificate of Analysis provided by the Sponsor is presented as Annex 3 (Please see the Attachment Section of this Summary).

Identification: PC 1427
Appearance/Physical state: Orange/brown Liquid
Batch: 1214SA002
Purity: 100%
Expiry date: Not supplied
Storage conditions: Room temperature in the dark

Results and discussion

Water solubility

Water solubility:

0 g/L

Temp.:

20 °C

pH:

ca. 6.3 - ca. 6.6

Any other information on results incl. tables

Results

Preliminary Test

Approximate solubility in water:                  <19 mg/L
The water solubility was calculated to be:    1.46 x 10^-5mg/L

The full WSKOWWIN calculation is presented in Appendix 3 - Please see Attachment Section of this Summary

Main Test

Typical chromatography is presented in Appendix 1 - Please see Attachment Section of this Summary.

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Table 7

Solution	Mean peakarea
Standard at 5.94 mg/L	1.0975 x 10^6
Standard at 5.79 mg/L	1.0561 x 10^6
Sample 1	1.1031 x 10^6
Sample 2	8.5345 x 10^5
Sample 3	2.1391 x 10^6

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Table 8

Sample number	Time shaken at ~ 30 ºC (hours)	Time equilibrated at 20 ºC (hours)	Concentration (g/L)	Solution pH
1	24	24	3.00 x 10^-4[CP2]	6.6
2	48	24	2.32 x 10^-4	6.3
3	72	24	5.82 x 10^-4	6.4

Mean concentration   :          3.72 x 10^-4 g/L at 20.0 ± 0.5 ºC
Range                        :          2.32 x 10^-4 to 5.82 x 10^-4 g/L
Standard Deviation    :          0.186

Applicant's summary and conclusion

Conclusions:

The water solubility of the test item has been determined to be 3.72 x 10-4 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The determination was carried out using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7840 of the OCSPP Guidelines.

The test system consisted of purified water with a resistivity of greater than 15MΩ.

Conclusion

The water solubility of the test item has been determined to be3.72 x 10^-4g/L of solution at 20.0 ± 0.5 °C.