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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
09 Jan 2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Version / remarks:
adopted in 2001
Deviations:
yes
Remarks:
Test material components were only tested in their non-ionised forms
Qualifier:
according to
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Version / remarks:
adopted in 2008
GLP compliance:
yes (incl. certificate)
Remarks:
The Department of Health of the Government of the United Kingdom, date of inspection 19 Aug 2008
Type of method:
HPLC estimation method
Test material information:
Composition 1
Radiolabelling:
no
Test temperature:
40 ºC
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: HPLC
- Type: Agilent Technologies 1100
- Type, material and dimension of analytical (guard) column: Zorbax SB CN 5 µm, 250 x 4.6 mm
- Detection system: UV detector, 210 nm standards, 220 nm samples

MOBILE PHASES
- Type: 55% acetonitrile/45% water (v/v)
- pH: 7.2
- Solutes for dissolving test and reference substances: acetonitrile

DETERMINATION OF DEAD TIME
- Method: The retention time of formamide (purity ≥ 99.5%, 1430 mg/L solution in mobile phase)

REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenol, Atrazine, Isoproturon, Triadimenol, Linuron, Naphthalene, Endosulfan-diol, Fenthion, α-Endosulfan, Phenanthrene, Diclofop-methyl, DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 20 µL of 1014 mg/L solution
- Quantity of reference substances: 20 µL of 100 to 139 mg/L solutions

REPETITIONS
- Number of determinations: 2
Key result
Type:
Koc
Value:
33 700
Temp.:
40 °C
Remarks on result:
other: PEMB
Key result
Type:
log Koc
Value:
4.53
Temp.:
40 °C
Remarks on result:
other: PEMB
Key result
Type:
Koc
Value:
1 050
Temp.:
40 °C
Remarks on result:
other: PE3MB
Key result
Type:
log Koc
Value:
3.02
Temp.:
40 °C
Remarks on result:
other: PE3MB
Details on results (HPLC method):
- Retention times of reference substances used for calibration: see Table 1
- Details of fitted regression line (log k' vs. log Koc): y = 0.249x - 0.713, r2 = 0.974
- Average retention data for test substance: Component A (PE3MB): 5.42 min, Component B (PEMB): 9.32 min
- Capacity factor for test substance: Component A (PE3MB): 1.096, Component B (PEMB): 2.602
Transformation products:
no

Table 1: Retention times of reference substances used for calibration

Standard

Mean Retention Time (min)

Log Koc

Acetanilide

3.362

1.25

Phenol

3.462

1.32

Atrazine

4.163

1.81

Isoproturon

4.250

1.86

Triadimenol

4.678

2.40

Linuron

5.055

2.59

Naphthalene

5.440

2.75

Endosulfan-diol

5.113

3.02

Fenthion

6.820

3.31

α-Endosulfan,

8.694

4.09

Phenanthrene,

7.056

4.09

Diclofop-methyl

8.377

4.20

DDT

12.840

5.63

Table 2: Data for Component A (PE3MB)

Injection

Retention Time (min)

Capacity Factor (k)

Log10k

Log10Koc

1

5.423

1.095

3.94 x 10-2

3.02

2

5.429

1.097

4.04 x 10-2

3.02

Mean log10Koc:                     3.02
Adsorption coefficient:        1.05 x 103

Table 3: Data for Component B (PEMB)

Injection

Retention Time (min)

Capacity Factor (k)

Log10k

Log10Koc

1

9.318

2.600

0.415

4.53

2

9.328

2.604

0.416

4.53

Mean log10Koc:                     4.53
Adsorption coefficient:        3.37 x 104

Conclusions:
The log Koc for the two components is as follows:
Component A (PE3MB): 3.02
Component B (PEMB): 4.53
Executive summary:

Adsorption Coefficient: The adsorption coefficient was determined using the HPLC screening, Method C19 Adsorption Coefficient of Council Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001. 

The results are shown in the following table:

Component

Adsorption Coefficient

Log10 Koc

A

1.05 x 103

3.02

B

3.37 x 104

4.53

Description of key information

Log Koc = 4.53 at 40 °C (HPLC estimation method, OECD 121)

Key value for chemical safety assessment

Koc at 20 °C:
33 700

Additional information

The adsorption/desorption potential of the test material was analysed in a HPLC screening study (key) following OECD guideline 121 and GLP (Showa Denko, 2009). The test substance was analysed for its elution behaviour by comparison to 13 reference substances unsing a HPLC method. According to the established calibration curve, the value for the log Koc of the test substance is 4.53 (Koc 33700).

[LogKoc: 4.53]