Glycerol, propoxylated, esters with acrylic acid, reaction products with diethylamine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015-01-08 to 2016-03-25

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

yes

Remarks:

The expiration date of the reference item formamide was August 2014, while the test was run in April, 2015. As the chromatographic peak of formamide was similar to the one expected, this deviation was considered to be acceptable.

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

> 6.2

Remarks on result:

other: Glycerol (PO)x Triacrylate with 1, 2 or 3 DEA

Key result

Type:

log Pow

Partition coefficient:

>= 3.2 - <= 4.2

Remarks on result:

other: Glycerol (PO)n Triacrylate

Details on results:

Using the capacity factor k’ and the partition coefficient log Pow of the reference items, the following calibration
curve was obtained:
log Pow = 3.8357 log k’ + 2.7471 r2 = 0.9762

REFERENCE ITEMS RESULTS

(Name, Mean retention time (min), Log k', Log Pow)

Formamide 0.56 - -

Acetophenone 0.8 -0.36797679 1.7

Benzene 1 -0.10473535 2.1

Toluene 1.2 0.057991947 2.7

Ethyl benzene 1.46 0.206054482 3.2

Biphenyl 1.67 0.297134952 4.0

Phenantrene 2.00 0.410174465 4.5

Bibenzyl 2.28 0.48734042 4.8

Triphenylamine 3.7 0.748741621 5.7

DDT 5.20 0.918329954 6.2

TEST ITEM RESULTS

Glycerol (PO)n Triacrylate:

Peaks No. 1, 2, 3

1.1% area (GC)

Average log Kow: 3.2, 3.7, 4.2

Mean Retention Time: 1.29, 1.54, 1.88 min

Glycerol (PO)n Triacrylate - 1 DEA:

Peaks No. 4, 5, 6

12.60% area (GC)

Average log Kow: > 6.2

Mean Retention Time: 12.79, 13.94, 14.37 min

Glycerol (PO)n Triacrylate - 2 DEA:

Peaks not identified

39.6 % area (GC)

Average log Kow: > 6.2

Mean Retention Time: Not eluted

Glycerol (PO)n Triacrylate - 3 DEA:

Peaks not identified

34.4 % area (GC)

Average log Kow: > 6.2

Mean Retention Time: Not eluted

Executive summary:

The purpose of the study was to determine the partition coefficient of the test item between n-octanol and

water using the HPLC-method.

The partition coefficient was determined based on the calibration curve using 10 reference items for which the

Kow value is known. The difference between the three measurements of the test item was less than the given

0.1 log units. Therefore the study is considered to be valid.

Due to the test item composition, a range of Kow was determined:

- the partition coefficient log Kow attributed to Glycerol (PO)x Triacrylate with 0 DEA range from

3.2 to 4.2.

- the Log Kow attributed to Glycerol (PO)x Triacrylate with 2, or 3 DEA were considered as > 6.2

even if they are not formally detected in the experiment.

Description of key information

The octanol/water partition coefficient of the test item was determined by an experimental study performed in accordance with the OECD 117 Test Guideline and GLP requirements.

The partition coefficient (log Kow) of the Glycerol (PO)x Triacrylate with 0 DEA constituents (1.1% area according to the GC analysis) ranged between 3.2 to 4.2.

 

The partition coefficient (log Kow) of the Glycerol (PO)x Triacrylate with 1 DEA constituents (12.60% area according to the GC analysis) was greater than 6.2, with three peaks identified with mean retention times of 12.79, 13.94, 14.37 min.

 

The partition coefficient (log Kow) of the Glycerol (PO)x Triacrylate with 2 or 3 DEA constituents (respectively 39.6% and 34.4% area according to the GC analysis) was greater than 6.2. The heavier constituents containing 2 or 3 DEA were not eluted from the column even when using 100% acetonitrile.

Key value for chemical safety assessment

Log Kow (Log Pow):

6.2

at the temperature of:

25 °C

Additional information

As a conservative approach, the highest log Pow values (> 6.2) were selected for chemical safety assessment.