Reaction products of acrylic acid with 2,2'-[oxybis(methylene)]bis[2-ethylpropane-1,3-diol]

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012

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:

no

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

ca. 4.14

Temp.:

30 °C

Remarks on result:

other: The test substance is a multi-constituent product. For the major components, log Pow value were 4.14 and 3.05 (respectively 81% and 10% of total base peak area). For the minor components, log Pow values were between -0.10 and 3.85.

Details on results:

Refer to the above results and discussion section.

Experimental values:

A solution of the test substance was injected onto a reversed-phase HPLC column with UV detection. The log Pow value was calculated from the retention time of the test substance. Ebecryl® 140 is a multi-constituent product. For the major components, log Pow value were 4.14 and 3.05 (respectively 81% and 10% of total base peak area). For the minor components, log Pow values are between -0.10 and 3.85.

Ebecryl®140	Retention time (min)	Log Pow	Area (%)
Component 1	1.64	-0.101	1.4
Component 2	2.71	1.86	0.7
Component 3	4.25	2.67	1.4
Di-triacrylate	5.51	3.05	10.2
Component 4	6.58	3.29	3.0
Component 5	10.31	3.85	2.2
Di-tetraacrylate	13.30	4.14	81.1

Refer to the 'attached background materials' for figure on the HPLC-UV chromatogram.

Calculated values:

Ebecryl®140 (#JBGH0077T)	Experimental log Pow   HPLC-UV (Cytec)	Calculated log Pow  (KOWWIN) with chemical structure and number
Di-trimethylol propane tetraacrylate	4.14 (81%)	4.34
Di-trimethylol propane triacrylate	3.05 (10%)	2.98

 

The calculated log Pow values for both main components of ebecryl®140 were similar to the experimental ones and both were superior to 3.

Conclusions:

Di-TMPTTA is a UVCB. For the major components, log Kow value were 4.14 and 3.05 (respectively 81 and 10% of total base peak area). For the minor components, log Kow values were between -0.10 and 3.85.

Executive summary:

The partition coefficient of di-TMPTTA was determined according to OECD Guideline 117 using High Performance Liquid Chromatography (HPLC). The test substance is a UVCB. For the major components, log Kow values were 4.14 and 3.05 (respectively 81 and 10% of total base peak area). For the minor components, log Kow values were between -0.10 and 3.85. Log Kow value was also estimated by the Rekker method which is based on theoretical fragmentation of the molecule into suitable substructures for which log Kow increments are known. The calculated log Kow values for both main components of the test substance were similar to the experimental ones and both were superior to 3 (Jeuniaux, 2012).

Description of key information

Partition coefficient was determined using High Performance Liquid Chromatography (HPLC) according to OECD Guideline 117 (Jeuniaux, 2012).

Key value for chemical safety assessment

Log Kow (Log Pow):

4.14

at the temperature of:

30 °C

Additional information

Log Kow values for the major components present at 81 and 10% total base peak area were determined to be 4.14 and 3.05 respectively. Log Kow values for the minor components ranged between -0.10 and 3.8.

The highest value corresponding to the component present at 81% total base peak area has been considered further for the risk assessment.