Reaction mass of undec-8-enal and undec-9-enal and undec-10-enal

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:

03 May 2017 - 04 May 2017

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))

Version / remarks:

22 January 2001

Deviations:

no

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:

30 May 2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil

Radiolabelling:

no

Test temperature:

30 ºC

Details on study design: HPLC method:

EQUIPMENT
- Instrument: Agilent Technologies 1100 series, incorporating autosampler and workstation
- Column: Waters HSS Cyano 5μm (150 x 4.6 mm id)
- Column temperature: 30 ºC
- Flow: 1.0 mL/min
- Injection volume: 10 µL
- UV detection: 210 nm

MOBILE PHASE
- Type: methanol: water (55:45 v/v)

- pH: 6.2
- Solutes for dissolving reference substances were prepared in methanol

DETERMINATION OF DEAD TIME
Method: determined by measuring the retention time of formamide (purity 99.94%, 678 solution in mobile phase).

REFERENCE SUBSTANCES
- Solutions of reference items were prepared in methanol.
- Identity: Acetanilide, Atrazine, Isoproturon, Triadimenol, Linuron, Naphthalene, Endosulfan-diol, Fenthion, α-Endosulfan, Phenanthrene, Diclofop-methyl and DDT

PREPARATION OF TEST SOLUTIONS
- Test item (0.5007 g) was diluted to 100 mL with acetonitrile to give a concentration of 5.01 x 103 mg/L.
- The sample solution matrix blank was acetonitrile

REPETITIONS
- Number of determinations: 2 (for reference substances, test solutions and blank solution)

EVALUATION
- Calculation of capacity factors k': k'= (tr-t0)/t0 where tr = retention time, t0 = mean column dead time
- Determination of the log Koc value: via linear regression; log k' = 0.3059 x log Koc - 0.6283 (r = 0.944)

Key result

Type:

log Koc

Value:

>= 1.58 - <= 4.25 dimensionless

pH:

6.2

Temp.:

30 °C

Key result

Sample No.:

#4

Type:

log Koc

Value:

3.32 dimensionless

pH:

6.2

Temp.:

30 °C

Remarks on result:

other: main constituent (84%)

Details on results (HPLC method):

In the absence of any relevant dissociating functional groups, no specific manipulation of the mobile phase pH was necessary to achieve an unionized form of the test item. Therefore the determination was performed at an unadjusted, approximately neutral pH.

- Retention times of reference substances used for calibration: see table enclosed
- Details of fitted regression line (log k' vs. log Koc): y = 0.3059 x -0.6283 (r2=0.944, n=12)
- Graph of regression line attached
- The chromatogram of the test substance showed 7 substance peaks.
- Average retention data for test substance: see table below
- The value of log10 Koc obtained from duplicate measurements was within ± 0.01 log units.

The retention times of the dead time and the retention times, capacity factors (k') and log₁₀ K_ocvalues for the reference standards are shown in the following table:

Standard	Retention Time (mins)		Mean Retention Time (mins)	Capacity Factor (k')	Log10k'	Log10Koc
	Injection 1	Injection 2
Formamide (dead time)	1.914	1.917	1.915	-	-	-
Acetanilide	2.606	2.606	2.606	0.360	-0.443	1.25
Atrazine	3.581	3.581	3.581	0.870	-6.07 x  10^-2	1.81
Isoproturon	3.811	3.811	3.811	0.990	-4.42 x  10^-3	1.86
Triadimenol	5.058	5.061	5.059	1.642	0.215	2.40
Linuron	5.160	5.155	5.158	1.693	0.229	2.59
Naphthalene	4.491	4.491	4.491	1.345	0.129	2.75
Endosulfan-diol	6.288	6.291	6.289	2.284	0.359	3.02
Fenthion	7.542	7.545	7.544	2.939	0.468	3.31
α-Endosulfan	10.592	10.582	10.587	4.528	0.656	4.09
Phenanthrene	8.224	8.222	8.223	3.293	0.518	4.09
Diclofop-methyl	11.383	11.385	11.384	4.944	0.694	4.20
DDT	22.086	22.086	22.086	10.531	1.02	5.63

 

The retention times, capacity factor and log₁₀K_ocvalue determined for the sample

 

Peak number	Injection	Retention time (mins)	Capacity Factor (k')	Log10 k'	Log10 Koc	Mean Log10Koc	Adsorption Coefficient
1	1	3.287	0.716	-0.145	1.58	1.58	38.3
	2	3.295	0.720	-0.143	1.59
2	1	4.187	1.186	7.42 x 10^-2	2.30	2.30	198
	2	4.190	1.188	7.46 x 10^-2	2.30
3	1	5.075	1.650	0.217	2.76	2.76	571
	2	5.041	1.632	0.213	2.75
4	1	6.596	2.444	0.388	3.32	3.32	2.10 x 10^3
	2	6.596	2.444	0.388	3.32
5	1	8.256	3.310	0.520	3.75	3.75	5.64 x 10^3
	2	8.241	3.303	0.519	3.75
6	1	8.996	3.697	0.568	3.91	3.90	7.99 x 10^3
	2	8.925	3.660	0.563	3.90
7	1	10.895	4.688	0.671	4.25	4.25	1.77 x 10^4
	2	10.895	4.688	0.671	4.25

Conclusions:

Based on the HPLC estimation method at pH = 6.2 using soil-adsorption reference data, the log Koc for Intreleven aldehyde was determined to be in the range of 38.3 to 1.77 x 10^4, log10 Koc 1.58 to 4.25. The main constituent detected, contributing 84% of the total area by percentage area normalization, represented a log10 Koc value of 3.32.

Executive summary:

The HPLC estimation method based on soil-adsorption reference data was used for the determination of the adsorption coefficient (Koc) of the substance. The study was performed in accordance with EC C.19 and OECD 121 and in compliance with GLP. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection 210 nm. The stationary phase contained a cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties. Formamide was used as unretained substance. The column temperature was 30°C and the pH of the mobile phase was 6.2. Duplicate injections of reference substances and test substance were applied. The chromatogram of the test substance showed seven test substance peaks. The log Koc value of the substance was determined to range between 1.58 and 4.25. The main constituent detected, contributing 84% of the total area by percentage area normalization, represented a log Koc value of 3.32 (Koc= 2089.3).

Description of key information

The HPLC estimation method based on soil-adsorption reference data was used for the determination of the adsorption coefficient (Koc) of the substance. The study was performed in accordance with EC C.19 and OECD 121 and in compliance with GLP. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection 210 nm. The stationary phase contained a cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties. Formamide was used as unretained substance. The column temperature was 30°C and the pH of the mobile phase was 6.2. Duplicate injections of reference substances and test substance. The chromatogram of the test substance showed seven test substance peaks. The log Koc value of the substance was determined to range from 1.58 to 4.25. The main constituent detected, contributing 84% of the total area by percentage area normalization, represented a log Koc value of 3.32 (Koc = 2089.3).

Key value for chemical safety assessment

Koc at 20 °C:

2 089.3

Additional information

Key value is from the most representative constituent (peak #4), 84% of total area.

[LogKoc: 3.32]