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Environmental fate & pathways

Adsorption / desorption

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adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2015-01-28 till 2015-02-13
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
according to guideline
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
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
Mobile Phase: A: 835 mL demineralized water (Millipore) + 165 mL buffer pH 6 (Fluka, Art. No. 33545) B: Acetonitrile
Flow rate: 1.0 mL/min
Column Temperature: 40 °C
Detection: UV, 220 nm
Injection volume: 3 μL
Computational methods:
The log Koc value was calculated with the software KOCWIN v. 2.00 assuming the nonionic form. log Koc was 4.0
log Koc

Determination of the Adsorption Coefficient (Koc).

Mean value of 3 single values of the calibration substances

 Calibration items  Retention time [tr]  Capacity factor  Log k’  Log Koc
  = min    k’    
 Sodium nitrate (dead time (t0))  1.726  -  -  -
 2-Nitrobenzamide  2.870  0.663  -0.178  1.45
 3,5-Dinitrobenzamide  3.249  0.882  -0.055  2.31
 Naphthalene  5.005  1.900  0.279  2.75
 1,2,3-Trichlorobenzene  5.318  2.081  0.318  3.16
 Phenanthrene  6.216  2.602  0.415  4.09
 Diclofop-methyl  7.059  3.090  0.490  4.20

Mean value of 3 single values of the test item 1,3-Bis(3-methyl-2,5- dioxo-1H-pyrrolinylmethyl)benzene

 Test item   Retention time [tr]   Capacity factor Log k'   Log Koc
   = min  k'    
 1,3-Bis(3-methyl-2,5-dioxo-1H-pyrrolinyl-methyl)benzene  4.279  1.479  0.1700  2.82
Validity criteria fulfilled:
The adsorption coefficient (Koc) of 1,3-Bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene was determined at log Koc = 2.8. at 25 °C.
Executive summary:

The adsorption coefficient (Koc) of 1,3-Bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene 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.

For the determination of the adsorption coefficient (Koc) five calibration standards with log Koc from 2.31 - 4.20 are established in the EG-test method.

The chromatogram of the test item 1,3-Bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene show the main signal eluting at 4.3 minutes.

For the adsorption coefficient of 1,3-Bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene as determined as log Koc = 2.8.

Description of key information

The adsorption coefficient (Koc) of 1,3-Bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)

benzene was determined at log Koc = 2.8. at 25 °C.

Key value for chemical safety assessment

Koc at 20 °C:

Additional information

The log Koc of 1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene was determined at 25 °C.

[LogKoc: 2.8]