Oxirane, mono[(C12-14-alkyloxy)methyl] derivs.

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

18-Feb-2010 to 30-Apr-2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do no effect the quality of the relevant results

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Test guideline 1

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

Test guideline 2

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))

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Date of Signature on GLP certificate: November 12, 2008

Type of method:

other: HPLC estimation method.

Media:

other: Not applicable.

Test material

Test material information

Constituent 1

Details on test material:

Alkyl (C12-C14) glycidyl ether
Label: Epoxide 8
51% C12 Glycidyl ether
21% C14 Glycidyl ether
5% C16 Glycidyl ether
13% N +1's
4% alpha addition Products
94% total active (label claim)
- Physical state: Clear colorless liquid
- Storage condition of test material: ambient

Radiolabelling:

no

Study design

Test temperature:

20ºC

HPLC method

Details on study design: HPLC method:

The isocratic elution did not lead to the elution of the test item.

Apparatus: Merck-Hitachi autosampler L-7200
Merck-Hitachi pump L-6200
Sedex85 ELSD detector LCELSD 2, Oven Temperature: 50 °C (Channel B)
Merck-Hitachi UV detector L-4000 (Channel A)
Column: LiChrospher CN, particle size 5 µm, 250 mm x 4.6 mm
HPLC Eluent: Water / methanol (45:55; v/v); pH 6.13
Detection: Test item: ELSD
Reference items: 210 nm
Sodium nitrate: 210 nm
Temperature: Room temperature (20 °C)
Injection Volume: 10 µL
Flow: 1.0 mL/min
Run Time: 15 minutes
Retention Times: See Table 1

Batch equilibrium or other method

Analytical monitoring:

not required

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

Koc

Value:

> 426 580 other: without unit

Temp.:

20 °C

Adsorption coefficient 2

Type:

log Koc

Value:

> 5.63 other: without unit

Temp.:

20 °C

Results: Batch equilibrium or other method

Transformation products:

not measured

Details on results (Batch equilibrium method):

In this case Not applicable.

Any other information on results incl. tables

The test item solution was injected three times and the combined reference solution was injected six times.In the present study the reference items covered the range of log K_OC 1.25 to log K_OC 5.63. The elution of the test item was not possible with the criteria given in the guideline (isocratic HPLC method and an elution system only with methanol and water).Therefore, thelog K_OC of the test item is > 5.63, which is equal to a K_OCvalue of >426580 using the HPLC method. This value indicates that Oxirane, mono[(C12-14-alkyloxy)methyl] derivs. / ERC Nr 17 is immobile, as it will be adsorbed by organic carbon in soil.This result was confirmed with a model calculation based on the water solubility and the partition coefficient of the test item, which states that the log K_OC is higher than 4.90.

 

A typical HPLC chromatogram of the reference standard mixture is shown in Figure 1. An HPLC chromatogram of the test item is shown in Figure 2. A typical chromatogram of the determination of the dead-time is given in Figure 3.

 

The retention times of the individual measurements of the reference items, test item and the dead time are given in Table 1.The capacity factor (k’) was calculated for each reference item using the retention times. Log K_OCwas plotted versus log k’ for each component to obtain a regression curve (Table 2 and Figure 4).The values given represent rounded values using the exact raw data.

Table 1       Retention Times in Minutes of the Reference Items and the Test Item

	1^strun	2^ndrun	3^rdrun	4^thrun	5^thrun	6^thrun
Sodium nitrate (= dead time)	1.508	1.492	1.500	1.500
Reference Items:
Acetanilide	3.183	3.158	3.185	3.167	3.158	3.158
Isoproturon	3.708	3.667	3.667	3.675	3.658	3.667
Linuron	4.292	4.233	4.233	4.242	4.225	4.225
Pyrazophos	5.350	5.242	5.250	5.258	5.225	5.242
Diclofop-methyl	5.942	5.792	5.792	5.817	5.775	5.783
2,4-DDT	8.417	8.125	8.108	8.175	8.108	8.100
Oxirane, mono[(C12-14-alkyloxy)methyl] derivs. / ERC Nr 17:
Peak	-	-	-

 

Table 2       Results of Linear Regression of Log k’ vs. Log K_OC

	Number of analysis	Mean retention time [min]	k'	log k'	log KOC
Sodium nitrate (= dead time)	4	1.50	-	-
Reference Items:
Acetanilide	6	3.17	1.11	0.05	1.25
Isoproturon	6	3.67	1.45	0.16	1.86
Linuron	6	4.24	1.83	0.26	2.59
Pyrazophos	6	5.26	2.51	0.40	3.65
Diclofop-methyl	6	5.82	2.88	0.46	4.20
2,4-DDT	6	8.17	4.45	0.65	5.63
	slope =				0.134
Linear Regression:	y-axis intercept =				-0.100
	coefficient of regression (r) =				0.998

 

The tabulated values represent rounded results, which were obtained by calculation using the exact raw data.

 

The test item could not be eluted, therefore the K_OCof the test item can be estimated to be higher than the last reference item on the list of the guideline, which has a log K_OCvalue of 5.63.

 

 

 

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Remarks:

EX

Conclusions:

The log of the adsorption coefficient (KOC) of Oxirane, mono[(C12-14-alkyloxy)methyl] derivs. / ERC Nr 17 was estimated to be log KOC > 5.63 which is equal to a KOC value of > 426580 using the HPLC method.

The experimentally determined result was confirmed by a model calculation, which results in a value of log KOC > 4.90 which is equal to a KOC value of > 286090. This value indicates that Oxirane, mono[(C12-14-alkyloxy)methyl] derivs. / ERC Nr 17 will be adsorbed by organic carbon in soil and is immobile.

Executive summary:

The log of the adsorption coefficient (K_OC) of Oxirane, mono[(C12-14-alkyloxy)methyl] derivs. / ERC Nr 17 was estimated to be

 

log K_OC> 5.63which is equal to a K_OCvalue of>426580

 

using the HPLC method.

 

The experimentally determined result was confirmed by a model calculation, which results in a value of

 

log K_OC> 4.90which is equal to a K_OCvalue of> 286090

 

This value indicates that Oxirane, mono[(C12-14-alkyloxy)methyl] derivs. / ERC Nr 17 will be adsorbed by organic carbon in soil and can be classified to be immobile according these study results.