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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:
12 December 2011 to 09 March 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
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))
Version / remarks:
(2008)
Deviations:
no
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))
Version / remarks:
(2001)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
other: mobile phase at pH 7
Specific details on test material used for the study:
Identification: FAT 40854/A TE
Description: Reddish-brown powder (determined at NOTOX)
Batch: TZ 5719 / BOP 02-11
Content: 46.2 % (4 main constituents)
Test substance storage: At room temperature in the dark
Stability under storage conditions: Stable
Expiry date: 01 April 2016
Radiolabelling:
no
Details on study design: HPLC method:
ANALYTICAL CONDITIONS HPLC METHOD

The HPLC method was performed at pH 7 as the test substance is a salt.

Instrument: Alliance Separation Module 2695 (Waters, USA)
Detector: Dual λ Absorbance Detector 2487 (Waters)
Column: Hypersil BDS-CN, 150 mm x 4.6 mm i.d., dp = 5 µm (Thermo Fisher Scientific, USA)
Column temperature: 35 °C± 1°C
Mobile phase: 55/45 (v/v) methanol/0.1 M phosphate buffer pH 7*
Flow: 1 mL/min
Injection volume: 10 µL
UV detection: 210 nm
*Phosphate buffer pH 7, 0.1 M: 0.1 M potassium dihydrogenphosphate solution adjusted to pH 7 using 10 N sodium hydroxide. The buffer contains 0.0009 % (w/v) sodium azide.


REFERENCE SUBSTANCES
Name, Purity, CAS number and log Koc values (according to the OECD 121):
-Acetanilide, >99.9 %, CAS 103-84-4, log Koc 1.26
-Atrazine, 97.5 %, CAS 1912-24-9, log Koc 1.81
-Monuron, 99.9 %, CAS 150-68-5, log Koc 1.99
-2,5-Dichloroaniline, 99.8 %, CAS 95-82-9, log Koc 2.55
-Benzoic acid phenylester, 99.9 %, CAS 93-99-2, log Koc 2.87
-Fenthion, 98.3 %, CAS 55-38-9, log Koc 3.31
-Phenanthrene, 98.1 %, CAS 85-01-8, log Koc 4.09

 
PREPARATION OF SOLUTIONS
Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. The stock solutions were diluted to obtain an end solution of 30/70 (v/v) methanol/phosphate buffer pH 7.

A 3044 mg/L stock solution of the test substance was prepared in 30/70 (v/v) methanol/phosphate buffer pH 7. The stock solution was diluted with similar solvent to obtain a final concentration of 304 mg/l.

A 4.81 g/L stock solution of the unretained compound formamide (99.8%) in methanol was used. The stock solution was diluted to obtain an end solution of 30/70 (v/v) methanol/phosphate buffer pH 7.
Type:
log Koc
Temp.:
20 °C
Remarks on result:
other: log Koc is <1.26, 1.55 and 2.89 with peak area: 22, 36 and 15 %, respectively
Details on results (HPLC method):
In the HPLC chromatogram of the test solution, three major constituents at 22 %, 36 % and 15 % and several small impurity peaks (i.e. <10 %) were observed. Individual results: see table below. The equation of the regression line was: log k’ = 0.485 x log Koc– 1.11 (r = 0.95, n = 14).

Table: Kocof the test substance


   











































































































































































































































































Substance



tr,1
[min]



tr,2
[min]



mean tr
(n=2)



log Koc



Koc



Area
%



 



 



 



 



 



 



 



Formamide (t0)



2.006



2.009



2.008



 



 



 



 



 



 



 



 



 



 



Acetanilide



2.572



2.551



 



1.26



 



 



Atrazine



3.580



3.516



 



1.81



 



 



Monuron



3.335



3.289



 



1.99



 



 



2,5-Dichloroaniline



3.809



3.748



 



2.55



 



 



Benzoic acid phenylester



6.861



6.672



 



2.87



 



 



Fenthion



13.164



12.752



 



3.31



 



 



Phenanthrene



12.834



12.505



 



4.09



 



 



 



 



 



 



 



 



 



Impurity I



1.831



1.828



1.830



<1.26



<1.8 x 101



6.2



Impurity II



1.887



1.886



1.887



<1.26



<1.8 x 101



3.6



Major constituent I



2.064



2.060



2.062



<1.26



<1.8 x 101



22



Impurity III



2.273



2.266



2.270



<1.26



<1.8 x 101



7.2



Impurity IV



2.423



2.414



2.419



<1.26



<1.8 x 101



1.3



Impurity V



2.595



2.587



2.591



<1.26



<1.8 x 101



3.3



Major constituent II



2.901



2.887



2.894



1.55



3.6x 101



36



Impurity VI



3.637



3.617



3.627



2.09



1.2 x 102



1.5



Impurity VII



3.971



3.958



3.965



2.26



1.8 x 102



0.66



Impurity VIII



4.236



4.204



4.220



2.37



2.3 x 102



1.5



Impurity IX



4.963



4.927



4.945



2.62



4.2 x 102



1.2



Impurity X



5.552



5.504



5.528



2.79



6.1 x 102



0.43



Major constituent III



5.995



5.943



5.969



2.89



7.8 x 102



15



Impurity XI



9.481



9.381



9.431



3.45



2.8 x 103



0.30



Impurity XII



10.156



10.114



10.135



3.54



3.4 x 103



0.16



Impurity XIII



11.350



11.252



11.301



3.66



4.5 x 103



0.20



 



 



 



 



 



 



 



 


 


 

Validity criteria fulfilled:
not applicable
Conclusions:
The log Koc values for the 3 major components (representing 73 % of the substance) in FAT 40854/A are <1.26, 1.55 and 2.89. The log Koc values for 13 minor components (each representing <10 % of the substance) ranges from <1.26 to 3.66.
Executive summary:

In a GLP-compliant study, an adsorption/ desorption screening test with FAT 40854/A was carried out according to EU method C.19 and OECD 121. The log Koc values for the 3 major components (representing 73 % of the substance) in FAT 40854/A are <1.26, 1.55 and 2.89. The log Koc values for 13 minor components (each representing <10 % of the substance) ranges from <1.26 to 3.66.

Description of key information

The log Koc values for the 3 major components (representing 73 % of the substance) in FAT 40854/A are <1.26, 1.55 and 2.89. The log Koc values for 13 minor components (each representing <10 % of the substance) ranges from <1.26 to 3.66.

Key value for chemical safety assessment

Koc at 20 °C:
780

Additional information

In a GLP-compliant study, an adsorption/ desorption screening test with FAT 40854/A was carried out according to EU method C.19 and OECD 121. The log Koc values for the 3 major components (representing 73 % of the substance) in FAT 40854/A are <1.26, 1.55 and 2.89. The log Koc values for 13 minor components (each representing <10 % of the substance) ranges from <1.26 to 3.66. As a worst case assumption, the higher Koc value (major constituent III: Koc 780, log Koc 2.89) among the three major constituents was taken ahead for risk assessment purposes.