Registration Dossier
Registration Dossier
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EC number: 216-629-0 | CAS number: 1630-78-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental start date: 26 March 2020; Experimental completion date: 28 April 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline 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))
- 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))
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Specific details on test material used for the study:
- Identity: TKN1
Batch number: N1200213
Physical state/appearance: Colourless gas
Purity: 100%
Storage conditions: Room temperature
Expiry date: 10 August 2022 - Radiolabelling:
- no
- Test temperature:
- 25°C
- Details on study design: HPLC method:
- The sorption behaviour of the test item on soil can be investigated using high performance liquid chromatography (HPLC).
The adsorption coefficient is deduced from the capacity factor (k’) given by:
k' = tr - to / to
where: tr is the measured retention time of sample or reference
and: to is the retention time of the internal deadtime standard.
Procedure:
In order to correlate the measured capacity factor (k’) of the test material with its Koc, six reference materials were selected from a list of recommended compounds. These reference compounds were selected to have log10Koc values between 1.3 and 5.6. An internal standard (formamide) with no retention on the HPLC column was used to determine the deadtime of the HPLC system.
The reference substances are shown in 'any other information on materials and methods'.
A solution of TKN1 in HPLC mobile phase (also containing I.D.S.) was prepared and chromatographed in duplicate, bracketed by samples of the reference mixture, using the following conditions.
HPLC Conditions:
Instrument: Agilent 1200 Liquid Chromatograph
Data handling system: Waters Empower 2 (Build 2154) Service Pack D Feature Release 4
Column: HyperClone CN (CPS), 5µm (25 cm x 4.6 mm internal diameter)
Column temperature: 25°C
Mobile phase composition: Methanol:water (55:45 v/v)
Flow rate: 1 mL/minute
Injection volume:100 µL (samples)
10 μL (reference mixture)
Detector: UV set at 210 nm - Key result
- Type:
- log Koc
- Value:
- 0.63 dimensionless
- Temp.:
- 25 °C
- Type:
- Koc
- Value:
- 4.3 dimensionless
- Temp.:
- 25 °C
- Details on results (HPLC method):
- A calibration plot of log10k’ versus log10Koc was constructed for the reference standards
The logarithm of the capacity factor for the test item was then calculated and the log10Koc value was determined by extrapolation.
The test item, TKN1, was thus determined to have a log10Koc value of 0.63 (equivalent to a Koc value of 4.3). - Validity criteria fulfilled:
- not applicable
- Conclusions:
- The test item, TKN1, was found to have a log10Koc value of 0.6.
- Executive summary:
TKN1 was determined to have a log10Kocvalue of 0.63 (Kocvalue of 4.3), following a procedure designed to be compatible with OECD 121 and EU Method C.19.
Reference
HPLC Determination of Log10Kocfor TKN1
Sample |
Component |
tr(minutes) |
k' |
log10k’ |
log10Koc |
|
|
|
|
|
|
Standard Run A |
Acetanilide |
3.559 |
0.204 |
-0.690 |
1.3 |
(t0= 2.956 minutes) |
Nitrobenzene |
4.264 |
0.442 |
-0.354 |
2.4 |
|
Naphthalene |
5.311 |
0.797 |
-0.099 |
2.8 |
|
2-Methylnaphthalene |
5.999 |
1.029 |
0.013 |
3.9 |
|
Anthracene |
8.345 |
1.823 |
0.261 |
4.4 |
|
DDT |
15.158 |
4.128 |
0.616 |
5.6 |
|
|
|
|
|
|
Sample A |
TKN1 |
3.410 |
0.140 |
-0.852 |
0.63 |
(t0= 2.990 minutes) |
|
|
|
|
|
|
|
|
|
|
|
Sample B |
TKN1 |
3.412 |
0.140 |
-0.853 |
0.63 |
(t0= 2.992 minutes) |
|
|
|
|
|
|
|
|
|
|
|
Standard Run B |
Acetanilide |
3.561 |
0.204 |
-0.690 |
1.3 |
(t0= 2.957 minutes) |
Nitrobenzene |
4.266 |
0.443 |
-0.354 |
2.4 |
|
Naphthalene |
5.313 |
0.797 |
-0.099 |
2.8 |
|
2-Methylnaphthalene |
6.002 |
1.030 |
0.013 |
3.9 |
|
Anthracene |
8.350 |
1.824 |
0.261 |
4.4 |
|
DDT |
15.146 |
4.122 |
0.615 |
5.6 |
|
|
|
|
|
|
Linear regression (based on mean of standard runs A and B): log10Koc= 3.39log10k’ + 3.52
Description of key information
TKN1 was determined to have a log10Koc value of 0.63 (Koc value of 4.3), following a procedure designed to be compatible with OECD 121 and EU Method C.19.
Key value for chemical safety assessment
- Koc at 20 °C:
- 4.3
Additional information
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