1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene

Adsorption / desorption

Link to relevant study record(s)

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]