Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, sulfonated

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Remarks:

Estimation of the adsorption coefficient on soil and sewage sludge using HPLC.

Adequacy of study:

key study

Study period:

23 May 2017 to 17 July 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))

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

other: Soil and Sludge

Radiolabelling:

no

Test temperature:

40.0 degress Celcius

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Agilent Series 1100 High Performance Liquid Chromatograph (HPLC) with an Agilent Series 1100 Variable Wavelength (UV) Detector
- Type: Agilent InfinityLab Poroshell 120 EC-CN
- Type, material and dimension of analytical (guard) column: 100 x 3.0 mm, 2.7-µm
- Detection system: HPLC

MOBILE PHASES
- Type: Methanol and reagent water
- Experiments with additives carried out on separate columns: no
- pH: 6.50
- Solutes for dissolving test and reference substances: Reagent Water; 55:45, v/v

DETERMINATION OF DEAD TIME
- Method: The reference substance urea was used to determine the analytical column dead time. Five additional reference substances with known Log Koc values were used to prepare a calibration curve for calculating an estimated Log Koc for each of the test substance components.

REFERENCE SUBSTANCES
- Identity: Urea; Acetanilide; Phenol; Naphthalene; Phenanthrene; and 1,1-Bis(4-chlorophenyl)- 2,2,2-trichloroethane, 98%; 4,4’-DDT.

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: A primary stock solution of the test substance was prepared at a nominal concentration of 10.0 mg/L by accurately weighing 0.0100 g of the test substance into a 1000 mL volumetric flask and bringing to volume with reagent water. Three subsamples of the stock preparation were each prepared at a nominal concentration of 4.00 mg/L for analysis by fortifying an appropriate amount (4.00 mL) of the
primary stock into separate 10.0 mL volumetric flasks. A fourth subsample of the stock preparation was prepared at a nominal concentration of 4.50 mg/L by fortifying an appropriate amount (4.50 mL) of the primary stock into a 10.0 mL volumetric flask. The volumetric flasks were then brought to final volume with methanol. An aliquot of each final volume from the test solutions was transferred to and sealed in autosampler vials and submitted for HPLC/UV analysis. Each of the solution injections (10.0 µL) gave an acceptable UV response.
- Quantity of reference substances: An appropriate amount of each reference stock was fortified into separate 10.0-mL volumetric flasks preloaded with 4.5 milliliters of H2O and was brought to a 10.0 milliliters final volume with MeOH. The reference standard solutions yielded a final solution composition of 55% MeOH: 45% H2O (v/v) and the selected standard nominal concentrations gave an appropriate detector response for each reference substance.
- Intervals of calibration: The calibration standards injection sequence was repeated following the test substance injections.

REPETITIONS
- Number of determinations: A total of six reference substances were prepared and injected in duplicate (once near the beginning and once near the end of the HPLC sequence).

EVALUATION
- Calculation of capacity factors k': The logarithms of the capacity factors were then plotted against published log Koc values for the five calibration standards with known log Koc to establish a linear regression equation. k = (tR – t0)/t0
- Calculation of retention times: Determined by HPLC; The retention times for one of the reference substances, urea, was used to determine the analytical column dead time (t0) for use in calculating capacity factors (k) of the remaining reference substances and the test substance. The mean retention time of urea was 1.025 minutes.
- Determination of the log Koc value:The Log Koc for the test substance was calculated by substituting the calculated logarithm of the capacity factor for the test substance into the linear regression equation for the calibration curve.

Key result

Sample No.:

#1

Type:

log Koc

Value:

<= 1.08 dimensionless

pH:

6.5

Temp.:

40 °C

Matrix:

soil and sewage sludge

Remarks on result:

other: The corresponding adsorption coefficient (Log Koc) for the test substance by UV ranged from Unretained (< Urea) to 1.08.

Details on results (HPLC method):

The corresponding adsorption coefficient (Log Koc) for the test substance by UV ranged from Unretained (< Urea) to 1.08.

Table 1: Reference substances

Reference Standard	Concentration (mg/L)	Retention Times (minutes)	Capacity factor (k)**	log k	log koc
Urea*	300	1.027	NA	NA	NA
		1.023
Acetanilide	40	1.223	0.193	-0.714	1.25
		1.223	0.193	-0.714
Phenol	25	1.269	0.238	-0.623	1.32
		1.270	0.239	-0.622
Naphthalene	10	1.801	0.757	-0.121	2.75
		1.802	0.758	-0.120
Phenanthrene	10	2.610	1.55	0.189	4.09
		2.640	1.55	0.189
DDT	50	5.5400	4.40	0.644	5.63
		5.535	4.40	0.643
* Dead time ** Capacity factor (k) is the standard retention time minus the mean column dead time (1.025 minutes for urea) divided by the mean column dead time.

 

Table 2: Results with test material

Sample	Peak	Retention time (minutes)	Mean (Standard Deviation)	log koc	Mean (standard deviation)
1	1	0.420	0.416 (0.0032)	Unretained (< Urea)	NA
2	1	0.414		Unretained (< Urea)
3	1	0.415		Unretained (< Urea)
1	2	0.705	0.703 (0.0026)	Unretained (< Urea)	NA
2	2	0.700		Unretained (< Urea)
3	2	0.704		Unretained (< Urea)
1	3	1.23	1.23 (0.0010)	1.09	1.08 (0.0071)
2	3	1.23		1.07
3	3	1.23		1.08

 

Validity criteria fulfilled:

yes

Conclusions:

The study was performed to estimate the adsorption coeficient of the test substance in soil and sludge using a high performance liquid chromatography (HPLC) based methodology, per OECD Guideline 121. Under the chromatographic conditions specified, the test substance eluted as 3 peaks on the ultraviolet (UV) detector. The corresponding Log Koc for the test substance ranged from unretained (

Executive summary:

The study was performed to estimate the adsorption coefficient of the test substance in soil and sludge using a high performance liquid chromatography (HPLC) based methodology, per OECD Guideline 121. Under the chromatographic conditions specified, the test substance eluted as 3 peaks on the ultraviolet (UV) detector. The corresponding Log Koc for the test substance ranged from unretained (<Urea) to 1.08.

Description of key information

The study was performed to estimate the adsorption coefficient of the test substance in soil and sludge using a high performance liquid chromatography (HPLC) based methodology, per OECD Guideline 121, estimation of the adsorption coefficient on soil and sewage sludge using HPLC. Under the chromatographic conditions specified, the test substance eluted as 3 peaks on the ultraviolet (UV) detector. The corresponding Log Koc for the test substance ranged from unretained (<Urea) to 1.08.

Key value for chemical safety assessment

Koc at 20 °C:

12.023

Other adsorption coefficients

Type:

other: log Koc (soil and sewage sludge) using HPLC

Value in L/kg:

1.08

at the temperature of:

20 °C

Additional information

[LogKoc: 1.08]