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Partition coefficient

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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:
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

For the major components, log Kow values: 4.14 and 3.05 (respectively 81 and 10% of total base peak area). For the minor components, log Kow values between -0.10 and 3.8.