Fatty acids, C5-10 (linear and branched), mixed esters with pentaerythritol

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

migrated information: read-across based on grouping of substances (category approach)

Adequacy of study:

key study

Study period:

1999-01-20 to 1999-04-30

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

GLP - Guideline study, tested with the source substance 131459-39-7. In accordance to the ECHA guidance document "Practical guide 6: How to report read-across and categories (March 2010)", the reliability was changed from RL1 to RL2 to reflect the fact that this study was conducted on a read-across substance.

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Remarks:

Department of Health of the Government of the United Kingdom

Type of method:

flask method

Water solubility:

< 0.353 mg/L

Temp.:

20 °C

pH:

5.6 - 5.9

Remarks on result:

other: Reported value given as limit value.

Preliminary test

The preliminary estimate of water solubility was 1.4 x 10 ^-3 g/L.

Definitive test

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

Solutiuon	Mean total peak area
Standard 50.4 mg/L	1.737 x 10^5
Standard 50.1 mg/L	1.739 x 10^5
Sample 1A	6.797 x 10^3
Sample 1B	3.750 x 10^4
Sample 3A	4.514 x 10^3
Sample 3B	1.693 x 10^4
Standard 50.8 mg/L	1.022 x 10^5
Standard 52.1 mg/L	1.078 x 10^5
Sample 2A	3.585 x 10^4
Sample 2B	3.236 x 10^4

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

Sample number	Time shaken at ~ 30 °C (hours)	Time equilibrated at 20 °C (hours)	Concentration (g/L)	Solution pH
1	24	24	< 2.17 x 10^-4	5.6
2	48	24	< 3.53 x 10^-4	5.9
3	72	24	< 9.79 x 10^-5	5.6

Due to the very low levels of test material found in the sample solutions the results have been tabulated as limit values. The overall solubility is reported as a limit value (i.e. less than sample 2).

Reference 2

Endpoint:

water solubility

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

other:

Description of key information

< 1 mg/L

Additional information

The water solubility of this substance was deduced from the measurement of a similar substance (CAS-No. 131459 -39 -7). Water solubility is a property which decreases with increasing chain length for substances within the same group of chemicals. The chain length of the source substance is C5 and C9branched, the chain length of the target substance is C5 -10. Therefore the solubility is deduced to be < 1 mg/L.