Succinic acid derivative, sodium salt

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

August 8, 2007 - August 9, 2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: study conform with Directive EEC 92/69, A.8, OECD Guideline No. 117

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2007

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Details on test material:

Identity: AES
Batch: LSF7
Purity: 80.3%
Appearance: Solid
Expiration date: February 15, 2008
Storage: In the refrigerator at about 4 °C

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

-3.9

Temp.:

22 °C

pH:

> 7 - < 8

Details on results:

Test was performed at room temperature

Any other information on results incl. tables

Retention Times Test ltem

Measurement	RT (min)
Measurement 1	1.775
Measurement 2	1.755
Measurement 3	1.752
Mean	1.761
Standard deviation 0.012

 

 

Capacity Factor, log Capacity Factor, log Pow Test ltem

 

Measurement	K	log K	log pow
Measurement 1	0.01 54	-1.812	-2.91 1
Measurement 2	0.0043	-2.363	-4.131
Measurement 3	0.0025	-2.597	-4.651
Mean			-3.897
Standard deviation			0.893

 

log Pow was calculated from the capacity factor as follows:

log Pow = (log K + 0.4994) 10.451 1

 

 

 

Result and Validity

Using the correlation log K I log Pow, the log Pow of the test item AES was calculated as -4.01 9 _+ 0.91 4 (mean _+ standard deviation).

 

 

The validity criteria are presented in the following table:

 

Parameter	Criterion	Found	Assessment
Range (Max - Min. log Pow)	< 0.3	0.914	not valid
Value within	Rangeof0-6	- 3.897	not valid

The extrapolated log Pow value of about -3.897 lies outside the range of the HPLC method (OECD 117) and of the flask shaking method (OECD 107). No further tests were performed

The very low log Pow value indicates a very good solubility of AES in water.

Applicant's summary and conclusion

Conclusions:

The test substance is not biaccumulative (log Pow -3.9)

Executive summary:

The study was performed using a HPLC with C18 column. Eight reference items with different retention times were used to produce a calibartion curve, since retention time on hydrophobic columns and Pow are correlated.

First, a solution of the reference items was analysed with HPLC, then a solution of the test item, and finally again the solution with the reference items. Each analysis was performed three times, totalling nine runs.

For each reference item, the capacity factor K was calculated from the retention time of thio urea and the retention time of the respective reference item.

A calibartion function (log K versus log Pow, linear fit) was determined using the literature values for Pow of the reference items and the retention times in the six determinations.

The chromatogram of the test item gave one peak (mean retention time = 1.761 min). With the help of the calibartion function logK versus logPow, the corresponding Pow was extrapolated to be logPow = -3.9

The extrapolated Log Pow value ob about -4 is below the limit as given in the Guidelines for the flask shaking method (logPow between -2 and 4, OECD Guideline 107) as well as for the HPLC-method as described in OEC Guideline 117 (logPow between 0 and 6). The very low log Pow value indicates a very good solubility of AES in water.