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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:
2014-09-15 till 2014-11-18
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: OECD guideline study without restrictions.
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:
(adopted, May 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:
(adopted, January 2001)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil
Radiolabelling:
no
Test temperature:
The reference Koc-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Koc- values of reference substances determined at 25 °C.
Details on study design: HPLC method:
Chromatograph: High Performance Liquid Chromatograph, Agilent 1100
Chromatographic conditions:
Column type: length: 250 mm, inner diameter: 4 mm
Stationary Phase: LiChrospher 100 CN, particle diameter: 5 μm
Supplier: Fa. Merck
Mobile Phase: A: 835 mL demineralized water (Millipore) + 165 mL buffer pH 6 (Fluka, Art. No. 33545); B: Acetonitril
Flow rate: 1.0 mL/min
Column temperature: 40 °C
Detection: UV, 220 nm
Injection volume: 3 μL
Details on sampling:
Preparation of the test solutions.
The dead time marker sodium nitrate and the calibration substances were dissolved in acetonitrile / demineralized water 9:1 and diluted with acetonitrile. 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was dissolved with 20 mL tetrahydrofuran and filled up to a volume of 100 mL with acetonitrile. This solution was diluted with acetonitrile. The concentration for the calibration substances was approximately 0.02 to 0.1 mg/mL. The concentration for 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was approximately 0.05 mg/mL.
Computational methods:
Log Koc Prediction.
The log Koc value was calculated with the software KOCWIN v. 2.00 assuming the nonionic form. KOCWIN is owned by the U.S.Environmental Protection Agency.
Result: log Koc = 5.2.
Type:
log Koc
Value:
4.7
Temp.:
25 °C
Remarks on result:
other: (Retention time [tr] was 11.12 min)
 

Mean value of 3 single values of the calibration substances.

 Calibration items  Retention time [tr] Capacity factor   Log k'  Log Koc
   = min  k'    
 2 -Nitrobenzamide  2.974  0.714  -0.147  1.45
3,5 -Dinitrobenzamide   3.487  1.010  0.004  2.31
1,2,3 -Trichlorobenzene  6.599  2.804  0.448  3.16
Phenanthrene  8.200  4.802  0.682  4.20
Doclofop-methyl   10.064  4.802  0.682  4.20
9,10 -Dimethyl-1,2 -benzanthracene  13.867  6.994  0.845  5.37

Determined values of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one (single values)

 Test item  Retention   Retention   Retention Standard   Relative
   time [tr]   time [tr]  time [tr]   deviation  standard
   (min)  (min)  (min)  of the  deviation
   Test 1  Test 2  Test 3  retention  of the
         time [tr]  retention
         (min)  time [tr]
           (%)
14H-benz[4,5]isoquino[2,1-a]perimidin-14-one  11.148   11.102  11.111  0.024  0.22

Mean value of 3 single values of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one

 Test item  Retention time  Capacity factor  Log k' Log Koc
   [tr] = min  k'    
 

14H-benz[4,5]isoquino[2,1-a]perimidin-14-one

 11.120  5.411  0.7337  4.67

 

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was determined by HPLC and the chromatogram showed 1 signal eluting at 11.1 min. The log Koc was calculated at 4.7.
Executive summary:

The adsorption coefficient of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was determined according to the EU method C.19 and the OECD guideline No. 121 "Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)”. The adsorption coefficient (Koc) of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was

determined according to the HPLC method at 40 °C. In order to comply with the guideline OECD 121 and considering environmental relevance, pH 6 was chosen as pH value for the buffer. The reference Koc-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Koc- values of reference substances determined at 25 °C. The chromatogram of 14H-benz[4,5]isoquino[2,1]perimidin-14 -one showed 1 signal eluting at 11.1 minutes. The log Koc was calculated at 4.7.

Description of key information

The adsorption coefficient of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was determined by HPLC and the chromatogram showed 1 signal eluting at 11.1 min. The log Koc was calculated at 4.7.

Key value for chemical safety assessment

Koc at 20 °C:
50 119

Additional information

The temperature was reported at 25 °C.

[LogKoc: 4.7]