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Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted according to standard guidelines in compliance with GLP.
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study
Qualifier:
according to guideline
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Deviations:
no
Qualifier:
equivalent or similar to guideline
Guideline:
other: OECD 117 (Partition Coefficient (n-octanol/water), HPLC Method)
Deviations:
not specified
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
other: HPLC column (acting as a soil/sewage sludge matrix)
Test temperature:
Not applicable
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: HPLC
- Type: Alliance separation module 2695 (Waters, Milford, USA)
- Type, material and dimension of analytical (guard) column: Hypersil BDS-CN, 150 mm x 4.6 mm i.d., dp = 5 micrometer (Thermo, San Jose, USA)
- Detection system: Dual lambda absorbance detector 2487 (Waters)

MOBILE PHASES
- Type: 30/70 (v/v) methanol/water
- Experiments with additives carried out on separate columns: no
- Solutes for dissolving test and reference substances: 30/70 (v/v) methanol/water

REFERENCE SUBSTANCES
- Identity: thiourea (unretained compound), acetanilide, atrazine, monuron, 2,5-dichloroaniline, benzoic acid phenylester, fenthion, phenanthrene

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10 microliter
- Quantity of reference substances: 10 microliter

REPETITIONS
- Number of determinations: duplicates

EVALUATION
- Calculation of capacity factors k': k' = (tr-t0)/t0 (tr = retention time; t0 = mean column dead time)
- Calibration curve: log k' = a log koc + b (a = slope; b = intercept)
Key result
Type:
other: log Koc (major constituent)
Value:
1.81 dimensionless
Remarks on result:
other: PETIA
Key result
Type:
other: log Koc (major constituent)
Value:
2.64 dimensionless
Remarks on result:
other: PETRA
Key result
Type:
other: log Koc (for all constituents)
Value:
ca. 0.45 - <= 3.73 dimensionless
Remarks on result:
other: log Koc range based on values for identified peaks
Details on results (HPLC method):
- Retention times of reference substances used for calibration: thiourea (unretained): 2.03 min; acetanilide 2.73 min; atrazine: 3.98 min; monuron: 3.76-3.78 min; 2,5 dichloroaniline: 4.54-4.56 min; benzoic acid phenylester: 8.13-8.21 min; Fenthion: 16.27-16.49 min; Phenanthrene: 16.08-16.22 min
- Details of fitted regression line (log k' vs. log Koc): log k' = 0.490 x log koc - 1.00 (r = 0.957, n = 14)
- Average retention data for test substance: PETIA; 3.572; PETRA: 5.983

Koc of the test substance

 

Log Koc

Area %

Component 1

<0.45

0.3

Component 2

<0.45

1.3

Component 3

0.45

0.4

Component 4

0.84

5.6

Component 5

1.19

0.8

Component 6

1.51

0.2

Component 7

1.63

0.1

Component 8 (PETIA)

1.81

32.9

Component 9

2.07

2.9

Component 10

2.36

0.3

Component 11 (PETRA)

2.64

43.3

Component 12

2.74

1.3

Component 13

2.88

3.6

Component 14

3.13

0.2

Component 15

3.48

6.1

Component 16

3.73

0.8

 

Validity criteria fulfilled:
yes
Conclusions:
Under the conditions of the study, the log Koc of the test substance ranged from <0.45 and <=3.73. Therefore, following a conservative approach, the highest log Koc of 3.73 has been taken forward as the key value for the risk assessment.
Executive summary:

A study was conducted to determine the log Koc of the test substance using the HPLC method. The test substance contains mainly pentaerythritol triacrylate (PETIA) and pentaerythritol tetraacrylate (PETRA) 32.9 % and 43.3 % of the total peak area respectively. Under the study conditions, the log Koc of PETIA was 1.81 and Koc of PETRA was 2.64. For the minor components, log Koc values are in between <0.45 and 3.73. Less than 10 % of the total peak area exceeded log Koc of 3 (Oudhoff, 2010a). Following a conservative approach, the highest log Koc of 3.73 has been taken forward as the key value for the risk assessment.

Description of key information

Key value for chemical safety assessment

Koc at 20 °C:
5 370

Additional information

A study was conducted to determine the log Koc of the test substance using the HPLC method. The test substance contains mainly pentaerythritol triacrylate (PETIA) and pentaerythritol tetraacrylate (PETRA) 32.9 % and 43.3 % of the total peak area respectively. Under the study conditions, the log Koc of PETIA was 1.81 and Koc of PETRA was 2.64. For the minor components, log Koc values are in between <0.45 and 3.73. Less than 10 % of the total peak area exceeded log Koc of 3 (Oudhoff, 2010a). Following a conservative approach, the highest log Koc of 3.73 (i.e., Koc = 5370) has been taken forward as the key value for the risk assessment.