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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:
2015-01-28 till 2015-02-13
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))
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil
Radiolabelling:
no
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
Type:
log Koc
Value:
2.8

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:
yes
Conclusions:
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:
631

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]