Oligomerisation products of plasma treated triglycerides, C16-18 (even numbered) and C18 (unsaturated)

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

September 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

yes

Remarks:

Only preliminary study performed.

GLP compliance:

no

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

vegetable oil mono- and polyunsaturated C16-C22 triglycerides

Molecular formula:

C51H92O6 to C69H128O6

IUPAC Name:

vegetable oil mono- and polyunsaturated C16-C22 triglycerides

Constituent 2

Reference substance name:

dimers of vegetable oil mono- and polyunsaturated C16-C22 triglycerides

Molecular formula:

C102H186O12 to C138H256O12

IUPAC Name:

dimers of vegetable oil mono- and polyunsaturated C16-C22 triglycerides

Constituent 3

Reference substance name:

trimers of vegetable oil mono- and polyunsaturated C16-C22 triglycerides

Molecular formula:

C153H280O18 to C207H388O18

IUPAC Name:

trimers of vegetable oil mono- and polyunsaturated C16-C22 triglycerides

Constituent 4

Reference substance name:

tetramers and higher oligomers of vegetable oil mono- and polyunsaturated C16-C22

Molecular formula:

C204H374O24 and higher oligomers

IUPAC Name:

tetramers and higher oligomers of vegetable oil mono- and polyunsaturated C16-C22

Test material form:

liquid: viscous

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

6.4

Temp.:

20 °C

Remarks on result:

other: preliminary test result, main test not feasible due to technical limitations

Any other information on results incl. tables

The solubility of the test item in water is experimentally determined in the study by J. Johannes with study number 19031301G910, and was found to be 0.33 - 0.44 mg/L.

The solubility of the test item in n-octanol is experimentally determined in-house by the registrant, and was found to be > 1060 g/L.

As described in OECD guideline 107, an estimation for P_ow can be calculated as follows:

P_ow = c (n-octanol) / c (water)

with:

c (n-octanol) = the concentration of the test item in n-octanol, and

c (water) = the concentration of the test item in water

Using an average water solubility of 0.385 mg/L, the estimated P_ow thus can calculated:

P_ow= 1060000 mg/L / 0.385 mg/L = 2.7 E 06

This corresponds to a log P_ow of ca. 6.4. As this value is well above the applicability range of the available partition coefficient testing methods, a main test was not deemed technically feasible, and for the purpose of the assessment, the estimated log P_ow value of 6.4 will be used.

Applicant's summary and conclusion

Conclusions:

Estimated Log Pow = 6.4.

Executive summary:

The log Pow was estimated by means of the preliminary test as described in OECD guideline 107. The Log Pow was obtained by calculation of the ratio of the solubilities of the test substance in the pure solvents.

Concentrations in pure solvents:

- solubility in water: 0.385 mg/L (average, depending on loading rate)

- solubility in n-octanol: > 1060000 mg/L

Estimated Log Pow = 6.4

As this value is well above the applicability range of the available partition coefficient testing methods, a main test was not deemed technically feasible, and for the purpose of the assessment, the estimated log P_owvalue of 6.4 will be used.