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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1 November 2012 to 23 April 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted to GLP in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
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
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
Ideintification: Alkenes, C15-18 alpha-, sulfurized, ECN 267-023-8, CASRN 67762-55-4
Description: brown liquid
Batch: SA9881
Purity: 100% as UVCB
Radiolabelling:
no
Test temperature:
Column temperature: 40 °C
Details on study design: HPLC method:
The test utilised an HPLC system and a cyanopropyl reverse phase HPLC column containing both lipophilic and polar moieties.
In the absence of any dissociating functional groups, no pH manipulation of the mobile phase pH was required. Therefore the determination was performed at an unadjusted, approximately neutral pH.

-Preparation of Sample Solution
Test material (0.1130 g) was diluted to 20 mL with tetrahydrofuran to give a concentration of 5.65 g/L.

-Preparation of Dead Time Solution
The dead time was determined by measuring the retention time of formamide (510 mg/L solution in mobile phase).

-Preparation of Reference Standard Solutions
Reference standard solutions were prepared in methanol.

-Determination of Retention Time
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Agilent Technologies 1100, incorporating autosampler and workstation
Column: Xselect HSS cyano 5 µm (150 x 4.6 mm id)
Column temperature: 40 °C
Mobile phase: tetrahydrofuran:water (50:50 v/v)
pH of mobile phase: 5.3
Flow rate: 1.0 mL/min
Injection volume: 10 µL
UV detector wavelength: dead time and reference standards, 240 nm
ELSD parameters: Evaporator temperature 55 °C; Nebulizer temperature 40 °C; Gas flow 1.0 slm

Due to the high affinity of the test material for the HPLC column stationary phase, the mobile phase composition was amended to 100 % tetrahydrofuran by means of a gradient program from a time greater than that of the retention time of the highest adsorption coefficient reference material. All test material components eluted by this amended mobile phase share a common adsorption coefficient value, that of greater than the highest calibration standard (log10 Koc >5.63).

DATA HANDLING
-Construction of calibration curve
A calibration curve was constructed from the retention time data of the dead time and reference standard solutions. The capacity factors for the reference standards were calculated using the equation given below. The calibration curve was referenced in the determination of the log10 Koc of the test material using the equations below.

-Capacity factor
The capacity factor was determined as follows:
k’ = (tr - t0) / t0
where:
k' = capacity factor
tr = retention time (min)
t0 = dead time (min)
A correlation of log k’ versus log10 Koc of the calibration standards was plotted using linear regression.

-Adsorption Coefficient
The adsorption coefficient was calculated using the following equation:
Log10 Koc = (Log10 k’ - A) / B
where:
Koc = adsorption coefficient
k' = capacity factor
A = intercept of the calibration curve
B = slope of the calibration curve
Type:
Koc
Value:
> 427 000
Type:
log Koc
Value:
> 5.63
Details on results (HPLC method):
- Retention times of reference materials used for calibration: 2.468 - 9.930 minutes

Table 1: Retention Times, Capacity Factor and Log10 Koc Values

Injection

Retention Time (minutes)

Capacity Factor (k’)

Log10 k’

Log10 Koc

Adsorption Coefficient

1

17.650

9.423

0.974

>5.63

>427000

2

17.650

9.423

0.974

>5.63

Validity criteria fulfilled:
not applicable
Conclusions:
Under the conditions of this study, the adsorption coefficient of the test material was determined to be >4.27 x 10⁵. The log10 Koc of the test material was determined to be >5.63.
Executive summary:

The adsorption coefficient of the test material was determined using the HPLC screening method, conducted in accordance with the standardised guidelines OECD 121 and EU Method C.19 under GLP conditions.

The adsorption coefficient was determined by comparison of the test material’s elution time from a reverse-phase column with those of standard reference materials.

Under the conditions of this study, the adsorption coefficient of the test material was determined to be >4.27 x 10⁵. The log10 Koc of the test material was determined to be >5.63.

Description of key information

Under the conditions of this study, the adsorption coefficient of the test material was determined to be >4.27 x 10⁵. The log10 Koc of the test material was determined to be >5.63.

Key value for chemical safety assessment

Koc at 20 °C:
427 000

Additional information

The adsorption coefficient of the test material was determined in the key study using the HPLC screening method, conducted in accordance with the standardised guidelines OECD 121 and EU Method C.19 under GLP conditions. It was assigned a reliability score of 1 in accordance with the criteria detailed by Klimisch (1997).

The adsorption coefficient was determined by comparison of the test material’s elution time from a reverse-phase column with those of standard reference materials.

Under the conditions of this study, the adsorption coefficient of the test material was determined to be >4.27 x 10⁵. The log10 Koc of the test material was determined to be >5.63.

Column 1 of Annex IX of Regulation (EC) No. 1907/2006 (REACH) states that the requirement to provide further information on the adsorption/desorption of the substance is dependent on the results of the study required in Annex VIII. The information generated to fulfil the Annex VIII endpoint is considered to adequately assess the fate and behaviour of the substance in the environment. On this basis, the Registrant considers it justified to omit the study required under point 9.3.3 of Annex IX.

[LogKoc: 5.63]