Sodium diisobutylnaphthalenesulphonate

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

March 2013

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)

GLP compliance:

yes (incl. QA statement)

Type of method:

batch equilibrium method

Media:

other: soil and sediment

Test material

Test material information

Constituent 1

Reference substance name:

1322 – 93 -6

IUPAC Name:

1322 – 93 -6

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

See confidential details on test material section

Radiolabelling:

no

Study design

Test temperature:

20 ± 2°C

Batch equilibrium or other method

Analytical monitoring:

yes

Details on sampling:

- Concentrations:
Preliminary test : The test was performed in all five soils at a nominal test substance concentration of 1 µg/mL in 0.01M calcium chloride solution. Duplicate units were prepared for each soil at the following soil : test substance solution (in 0.01 M calcium chloride solution) ratios:
1:1 ratio: 10 g of soil and 10 mL of solution
1:5 ratio: 5 g of soil and 25 mL of solution
1:25 ratio: 1 g of soil and 25 mL of solution

Definitive test : Initial concentrations of Supragil WP in the aqueous phase were 10 µg/mL, equivalent to starting concentrations of 2.06, 4.28 and 1.54 µg/mL for monoisopropylnaphthalenesulphonate, diisopropylnaphthalenesulphonate and triisopropylnaphthalenesulphonate, respectively. Duplicate samples per soil, ratio and sampling time were prepared with 10 g of soil and 10 mL of test subtance solution (1:1 w/v ratio) or 5 g of soil and 25 mL of test subtance solution (1:5 w/v ratio) or 1 g of soil and 25 mL of test subtance solution (1:25 w/v ratio).
Soil Ratio (w/v) Compound measured
SK961089 1:1 Monoisopropylnaphthalenesulphonate
1:1 Diisopropylnaphthalenesulphonate
1:25 Triisopropylnaphthalenesulphonate
SK104691 1:1 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:5 Triisopropylnaphthalenesulphonate
SK566696 1:1 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:5 Triisopropylnaphthalenesulphonate
Calwich Abbey 1:5 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:25 Triisopropylnaphthalenesulphonate
Swiss Lake 1:1 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:5 Triisopropylnaphthalenesulphonate


- Sampling interval:
Preliminary test : 24 hours
Definitive test : Solutions were shaken for 3, 6, 24 and 48 hours. On each sampling occasion, duplicate samples were removed, centrifuged (9 or 34 minutes at 4750 rpm) and were analysed for the three required components of Supragil WP.
- Sample storage before analysis: none

Details on matrix:

COLLECTION AND STORAGE
- Geographic location:
The three UK soils were supplied by Land Research Associates.
+ Soil SK961089 : Chapel Hill Farm, Empingham, Rutland, UK
+ Soil SK104691: Farditch Farm, Chelmorton, Derbyshire, UK
+ Soil SK566696: Warsop, Nottinghamshire, UK
The two UK sediments were also supplied by Land Research Associates.
+ Calwich Abbey Sediment: Calwich, Ashbourne, Derbyshire, UK
+ Swiss Lake Sediment: Chatsworth, Derbyshire, UK

- Collection procedures:
Sampling and handling of the soils were performed under consideration of ISO 10381-6 “(Soil Quality-Sampling-Guidance on the collection, handling and storage of soil for the assessment of microbial processes in the laboratory)”.
For Calwich Abbey Sediment:
+Method of collection: Water: scooped from lake, sieved to 212 µm into container;
Sediment: Scooped into bucket and sieved to 2 mm into container.
For Swiss Lake Sediment:
+Method of collection: Water: scooped from lake, passed through a 212 µm sieve a container;
Sediment: Scooped from lake, passed through a 2 mmsieve into container.

- Sampling depth (cm):
Soil SK961089 : 20-25 cm
Soil SK104691: 10-20 cm
Soil SK566696: 12-20 cm
Calwich Abbey Sediment: Not recorded
Swiss Lake Sediment: Not recorded

- Storage conditions and length :
Soils: at room temperature (15.0 to 30.0°C) prior to use. Soil SK961089, Soil SK104691 and Soil SK566696 were sampled on March 2005, June 2003 and September 2007, respectively.
Sediments: After drying they were stored at room temperature (15.0 to 30.0°C) prior to use. Calwich Abbey Sediment and Swiss Lake Sediment were sampled on December 2011 and March 2011 respectively.

- Soil preparation (e.g.: 2 mm sieved; air dried etc.):
Soils were air-dried, thoroughly mixed, sieved through a 2 mm sieve and stored in the dark at room temperature (15.0 to 30.0°C) prior to use.
Sediments were sieved through a 2 mm sieve and were stored waterlogged with free access to air at 4 ± 2°C before being air dried on 20 July 2012 (Calwich Abbey) or 5 May 2011 (Swiss Lake). After drying they were stored at room temperature (15.0 to 30.0°C) prior to use.
Prior to dispensing the soils, the moisture contents of the stored soils were determined by drying a portion at ca 105°C. The wet : dry weight ratio was calculated and this allowed the dry weight equivalent of the dispensed soil to be calculated from the wet weight.
Dry soil weight = wet soil weight / (wet : dry ratio)
All calculations were based upon soil dry weight.
Soils were dispensed into pre-weighed plastic or Teflon® centrifuge tubes and were equilibrated by shaking with 0.01 M calcium chloride solution overnight before the day of treatment.

PROPERTIES
- Soil texture
- % sand (2000-63µm): Soil SK961089 : 38%, Soil SK104691: 19%, Soil SK566696: 85%, Calwich Abbey Sediment: 20%, Swiss Lake Sediment: 88%
- % silt (63-2 µm): Soil SK961089 : 34%, Soil SK104691: 63%, Soil SK566696: 6%, Calwich Abbey Sediment: 74%, Swiss Lake Sediment: 9%
- % clay (<2µm): Soil SK961089 : 28%, Soil SK104691: 18%, Soil SK566696: 9%, Calwich Abbey Sediment: 6%, Swiss Lake Sediment: 3%
- Horizon:no data
- Soil taxonomic classification: Soil SK961089 : Clay loam, Soil SK104691: Silty clay loam or silt loam, Soil SK566696: Loamy sand, Calwich Abbey Sediment: Silt loam or sandy silt loam, Swiss Lake Sediment: Sand
- Soil classification system: The soil types above mentioned were determined according to USDA (United States Department of Agriculture).
- Soil series and order: no data
- pH (water): Soil SK961089 : 7.9, Soil SK104691: 6.7, Soil SK566696: 4.7, Calwich Abbey Sediment: 7.7, Swiss Lake Sediment: 5.5
- Organic carbon (%): Soil SK961089 : 5.0, Soil SK104691: 2.5, Soil SK566696: 1.5, Calwich Abbey Sediment: 5.0, Swiss Lake Sediment: 0.8
- Cation Exchange Capacity (meq/100 g): Soil SK961089 : 41.3, Soil SK104691: 18.2, Soil SK566696: 9.0, Calwich Abbey Sediment: 17.4, Swiss Lake Sediment: 15.3
- Carbonate as CaCO3: no data
- Nitrogen content (%): Soil SK961089 : 0.446, Soil SK104691: 0.222, Soil SK566696: 0.0538, Calwich Abbey Sediment: not available, Swiss Lake Sediment: 0.0563
- Organic matter (%): Soil SK961089 : 8.6, Soil SK104691: 4.3, Soil SK566696: 2.6, Calwich Abbey Sediment: 8.6, Swiss Lake Sediment: 1.4
- C/N ratio: Soil SK961089 : 1:0.089, Soil SK104691: 1:0.08, Soil SK566696: 1:0.0359, Calwich Abbey Sediment: no data, Swiss Lake Sediment: 1:0.0704
- Moisture at 0.33 atm (%): Soil SK961089 : 31.7, Soil SK104691: 25.7, Soil SK566696: 9.7, Calwich Abbey Sediment: not available, Swiss Lake Sediment: not available
- Bulk density (g/cm3): Soil SK104691: 1.0
- Biomass (e.g. in mg microbial C/100 mg, CFU or other): Calwich Abbey Sediment: 1814 µg C/g, Swiss Lake Sediment: 324.6 µg C/g

Details on test conditions:

TEST CONDITIONS
- Buffer: none
- pH: The pH of the supernatants was measured before and after contact with the soil. The pH at the begining of the test of the CaCl2-solution 0.01 M was 7.5, 6.0, 3.9, 7.2, 4.7 before contact with the soil with Soil SK961089, Soil SK104691, Soil SK566696, Calwich Abbey Sediment, Swiss Lake Sediment, respectively.
- Suspended solids concentration: no data

TEST SYSTEM
- Type, size and further details on reaction vessel: The test was performed in Teflon® and plastic vessels in preliminary test and plastic vessels in definitive test.
- Water filtered : no
- Number of reaction vessels/concentration: All experiments including controls were performed in duplicate.
- Measuring equipment: Quantification of the three components of interest was by HPLC with fluorescence detection.
- Test performed in closed vessels (due to significant volatility of test substance) or in open system: No data.
- Method of preparation of test solution, incubation conditions and study conduct:
1) Preparation of the application solution:
Various stock solutions were prepared by accurately weighing the test substance and dissolving it in a known volume of 0.01 M calcium chloride solution. Weights were corrected for purity using a value of 95.3% purity for Supragil WP. This value was obtained by summing the amounts of the mono, di and triisopropylnaphthalenesulphonates and sodium sulphate shown on the Certificate of Analysis.

Preliminary test:
Solubility test and stability test: 300 μg/mL Supragil WP (58.8, 122.4 and 44.1 μg/mL for the mono-, di- and triisopropylnaphthalenesulphonate components, respectively) in 0.01 M calcium chloride solution.
Adsorption to container test: 0.01 M calcium chloride solution at a concentration of 10.0 μg/mL Supragil WP.
Ratio of soil to aqueous phase test: Supragil WP concentration of 1 µg/ml.
Definitive test: Initial concentrations of Supragil WP in the aqueous phase were 10 µg/mL, equivalent to starting concentrations of 2.06, 4.28 and 1.54 µg/mL for monoisopropylnaphthalenesulphonate, diisopropylnaphthalenesulphonate and triisopropylnaphthalenesulphonate, respectively. Units were treated with appropriate volumes (range 0.83 to 1 mL) of stock solutions (100 to 300 μg/mL) to achieve initial concentrations in the aqueous phase of 10 μg/mL.

2) Application:
Duplicate samples per soil, ratio and sampling time were prepared with 10 g of soil and 10 mL of solution (1:1 w/v ratio) or 5 g of soil and 25 mL of solution (1:5 w/v ratio) or 1 g of soil and 25 mL of solution (1:25 w/v ratio).
Solutions were shaken for 3, 6, 24 or 48 hours. On each sampling occasion, duplicate samples were removed, centrifuged (9 or 34 minutes at 4750 rpm) and were analysed for the three required components of Supragil WP.

3) Test concentrations:
Preliminary test: 1 µg/ml (ratio of aqueous phase test); 300µg/ml (solubility and stability test), 10µg/ml (adsorption to container test)
Definitive test: 10 µg/ml

4) Conditions for adsorption: see details on "any other information on materials and methods incl. tables"
Duplicate samples per soil, ratio and sampling time were prepared with 10 g of soil and 10 mL of solution (1:1 w/v ratio) or 5 g of soil and 25 mL of solution (1:5 w/v ratio) or 1 g of soil and 25 mL of solution (1:25 w/v ratio).
Solutions were shaken for 3, 6, 24 or 48 hours. On each sampling occasion, duplicate samples were removed, centrifuged (9 or 34 minutes at 4750 rpm) and were analysed for the three required components of Supragil WP by HPLC with fluorescence detection. The pH values of the supernatants were also determined.

5) Study conduct:
Preliminary test: Preliminary investigations (solubility test, stability test, adsorption to container test, ratio of soil to aqueous phase test, adsorption equilibrium time determinations) were conducted to determine the conditions to be used in the definitive test.
A test was performed to determine whether the three measured components of Supragil WP were soluble at a concentration of 300 µg/mL Supragil WP in 0.01 M calcium chloride solution.
A test was performed to determine whether the three measured components of Supragil WP adsorbed to Teflon® or plastic vessels from a 0.01 M calcium chloride solution at a concentration of 10.0 µg/mL.
The determination of the optimum soil : aqueous ratio for each compound/soil combination was conducted using all three soils at a Supragil WP concentration of 1 µg/mL. The results of this test, were used to determine the optimum soil : aqueous ratio for each compound/soil combination in the definitive test. Sorption of each compound to plastic vessels at the 1:5 or 1:25 w/v ratio (soil dependent) was determined at the end of this test.
The time to reach adsorption equilibrium was determined for each compound and each soil over a 48-hour period using a Supragil WP concentration of 10 µg/mL.
Definitive test:
Based on the results of the preliminary tests, the combination of ratios and soils used to determine each of the measured compounds are as follows:
Soil Ratio (w/v) Compound measured
SK961089 1:1 Monoisopropylnaphthalenesulphonate
1:1 Diisopropylnaphthalenesulphonate
1:25 Triisopropylnaphthalenesulphonate
SK104691 1:1 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:5 Triisopropylnaphthalenesulphonate
SK566696 1:1 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:5 Triisopropylnaphthalenesulphonate
Calwich Abbey 1:5 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:25 Triisopropylnaphthalenesulphonate
Swiss Lake 1:1 Monoisopropylnaphthalenesulphonate
1:5 Diisopropylnaphthalenesulphonate
1:5 Triisopropylnaphthalenesulphonate

Initial concentrations of Supragil WP in the aqueous phase were 10 µg/mL, equivalent to starting concentrations of 2.06, 4.28 and 1.54 µg/mL for monoisopropylnaphthalenesulphonate, diisopropylnaphthalenesulphonate and triisopropylnaphthalenesulphonate, respectively. Duplicate samples per soil, ratio and sampling time were prepared with 10 g of soil and 10 mL of solution (1:1 w/v ratio) or 5 g of soil and 25 mL of solution (1:5 w/v ratio) or 1 g of soil and 25 mL of solution (1:25 w/v ratio).
Soils (1, 5 or 10 g dry weight equivalent) were dispensed into pre-weighed plastic centrifuge tubes and were equilibrated by shaking with 0.01 M calcium chloride solution (10 or 25 mL) overnight before the day of the experiment.
Units were treated with appropriate volumes (range 0.83 to 1 mL) of stock solutions (100 to 300 µg/mL) to achieve initial concentrations in the aqueous phase of 10 µg/mL.
Solutions were shaken for 3, 6, 24 or 48 hours. On each sampling occasion, duplicate samples were removed, centrifuged (9 or 34 minutes at 4750 rpm) and were analysed for the three required components of Supragil WP. The pH values of the supernatants were also determined. Recovery of each of the measured components in Supragil WP in adsorption supernatants and soil extracts was used to assess stability of the compounds in each soil at 24 hours. Quantification of the three components of interest was by HPLC with fluorescence detection. Concentrations of Supragil WP in the supernatants and soil were calculated by summing the concentrations of the three measured components. Additionally, the distribution coefficients KD and KOC were determined after 48 hours of adsorption. The test have been performed on the multiconstituant substance including Na2SO4 but that the Koc for the Supragil is expressed only for the organic part of the test item.

Computational methods:

All calculations were performed using Microsoft Excel software. Samples were weighed and, where required, volumes were determined from the weights assuming a density of 1.00 g/mL.

Definitions:
Weight of test compound applied (g) = G
Dry weight of soil(g) = m
Volume of water initially present in soil (mL) = V0
Volume of calcium chloride solution added = V1
Concentration of test substance in the supernatant at the end of the adsorption step (µg/mL) = Ce
The amount adsorbed (µg) = X

Determination of Concentrations and Amounts of compounds in Soil:
When the soil samples were weighed out, a greater weight than the required dry weight equivalents was used to take account of the moisture present in the soil.
Weights of supernatants were determined from the total weights of soil plus solution by subtracting the weights of the dry soil. Weights therefore include entrained water. Weights were converted to volumes using a density of 1.00 g/mL.
Quantity of test compound adsorbed (X) (µg) = G-(Ce(V0+V1))
Percent of test item adsorbed = X/G x 100

Concentrations of adsorbed compounds (X/m) were calculated by dividing the amount adsorbed (‘X’ µg) by the dry weight equivalents of soil (‘m’ g).

Calculation of Adsorption Distribution Coefficients:
The following equations were used to calculate adsorption coefficients for individual units:
Adsorption coefficient (Kd) = (X/m)/Ce
Adsorption coefficient as a function of the organic carbon content of the soil (KOC) = Kd × 100 / % organic carbon

The units of adsorption coefficient are L/kg ( mL/g). X is the weight of test substance (µg) and m is the weight of dry soil (g) so X/m has units of µg/g.

Calculation of Supragil WP Adsorption Distribution Coefficients:
The adsorption coefficients for Supragil WP were calculated from the sum of the concentrations of the mono, di and triisopropylnapthalenesulphonates in the supernatants and soil phases using the same calculation method as used for the individual components.

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

Kd

Value:

2.99

Temp.:

20 °C

% Org. carbon:

5

Remarks on result:

other: Clay loam (Soil SK961089)

Adsorption coefficient 2

Type:

Koc

Value:

59.77

Temp.:

20 °C

% Org. carbon:

5

Remarks on result:

other: Clay loam (Soil SK961089)

Adsorption coefficient 3

Type:

Kd

Value:

1.97

Temp.:

20 °C

% Org. carbon:

2.5

Remarks on result:

other: Silty clay loam or silt loam (Soil SK104691)

Adsorption coefficient 4

Type:

Koc

Value:

78.62

Temp.:

20 °C

% Org. carbon:

2.5

Remarks on result:

other: Silty clay loam or silt loam (Soil SK104691)

Adsorption coefficient 5

Type:

Kd

Value:

2.69

Temp.:

20 °C

% Org. carbon:

1.5

Remarks on result:

other: Loamy sand (Soil SK566696)

Adsorption coefficient 6

Type:

Koc

Value:

179.22

Temp.:

20 °C

% Org. carbon:

1.5

Remarks on result:

other: Loamy sand (Soil SK566696)

Adsorption coefficient 7

Type:

Kd

Value:

7.85

Temp.:

20 °C

% Org. carbon:

5

Remarks on result:

other: Silt loam or sandy silt loam (Calwich Abbey Sediment)

Adsorption coefficient 8

Type:

Koc

Value:

157.04

Temp.:

20 °C

% Org. carbon:

5

Remarks on result:

other: Silt loam or sandy silt loam (Calwich Abbey Sediment)

Adsorption coefficient 9

Type:

Kd

Value:

1.87

Temp.:

20 °C

% Org. carbon:

0.8

Remarks on result:

other: Sand (Swiss Lake Sediment)

Adsorption coefficient 10

Type:

Koc

Value:

234.23

Temp.:

20 °C

% Org. carbon:

0.8

Remarks on result:

other: Sand (Swiss Lake Sediment)

Results: Batch equilibrium or other method

Adsorption and desorption constants:

Adsorption:
For monoisopropylnaphthalenesulphonate, adsorption distribution coefficients (Kd) per soil were in the range 0.4 to 1.8 mL/g and KOC values were in the range 23 to 67 mL/g. This component has high or very high mobility according to the McCall classification.
For diisopropylnaphthalenesulphonate, adsorption distribution coefficients (Kd) per soil were in the range 2.1 to 9.8 mL/g and KOC values were in the range 82 to 266 mL/g. This component has medium to high mobility according to the McCall classification.
For triisopropylnaphthalenesulphonate, adsorption distribution coefficients (Kd) per soil were in the range 6.7 to 31.3 mL/g and KOC values were in the range 267 to 992 mL/g. This component has low to medium mobility according to the McCall classification.
Distribution coefficients (Kd) for Supragil WP were in the range 2.1 to 7.9 mL/g and KOC values were in the range 60 to 234 mL/g. Depending on the soil, Supragil WP was shown to be of ‘medium’ or ‘high mobility’ according to the McCall classification.

Recovery of test material:

The total recovery of each measured component of Supragil WP in samples of each soil type was determined at 24 h to assess stability.
The results show that recovery of monoisopropylnaphthalenesulphonate was 102 to 103% of applied compound in the five soils used, recovery of diisopropylnaphthalenesulphonate was 100 to 105% and recovery of triisopropylnaphthalenesulphonate was 96 to 107%. These values show that there was no significant degradation of any of the measured components in Supragil WP during the test.

Concentration of test substance at end of adsorption equilibration period:

See details in tables 1 and 2 in "any other information on results incl. tables"

Concentration of test substance at end of desorption equilibration period:

No data

Mass balance (%) at end of adsorption phase

Mass balance (%) at end of adsorption phase 1

Sample no.:

#1

Duration:

48 h

% Adsorption:

21.1 - 80.8

Mass balance (%) at end of adsorption phase 2

Sample no.:

#2

Duration:

48 h

% Adsorption:

28.8 - 65.2

Mass balance (%) at end of adsorption phase 3

Sample no.:

#3

Duration:

48 h

% Adsorption:

31.6 - 76.5

Mass balance (%) at end of adsorption phase 4

Sample no.:

#4

Duration:

48 h

% Adsorption:

24.9 - 60.2

Mass balance (%) at end of adsorption phase 5

Sample no.:

#5

Duration:

48 h

% Adsorption:

30.4 - 62.2

Transformation products:

no

Details on results (Batch equilibrium method):

see below tables 3 and 4 in "any other information on results incl. tables"

Statistics:

All values in tables have been computer generated and data values displayed are rounded values of those held in memory.

Any other information on results incl. tables

Table 1: Weights of Supragil adsorbed to soil and in supernatants

Soil	Ratio	Weights of compounds in supernatants (µg)				Weights of compounds in soil (µg)
		Mono	Di	Tri	Total (Supragil WP)	Mono	Di	Tri	Total (Supragil WP)
SK961089	1:1	8.8479	5.7326	0.588	15.1685	11.719	37.08	14.837	63.636
	1:25	50.0029	85.4354	19.9937	155.432	1.419	21.595	18.569	41.583
SK104691	1:5	48.1507	75.6967	16.4022	140.2496	3.266	31.334	22.160	56.76
	1:1	13.1096	12.7471	1.5588	27.4155	7.457	30.065	13.866	51.388
SK566696	1:5	48.3129	70.9567	15.4075	134.6771	3.104	36.074	23.155	62.333
	1:1	9.9910	7.5842	0.9747	18.5499	10.576	35.228	14.450	60.254
Calwich Abbey	1:5	37.5969	36.0834	4.6573	78.3376	13.82	70.947	33.905	118.672
	1:25	49.4092	81.4939	17.0129	147.916	2.007	25.537	21.550	49.094
Swiss Lake	1:1	14.6776	13.5984	1.5514	29.8274	5.889	29.214	13.874	48.977
	1:5	48.1680	74.3464	14.6165	137.1309	3.249	32.684	23.946	59.879
Values are the means of two replicates Calwich Abbey and Swiss Lake were sediments Mono = sodium monoisopropylnapthalenesulphonate, di = solium diisopropylnapthalenesulphonate, tri = sodium triisopropylnapthalenesulphonate

Table 2: Supragil WP concentrations, distribution and distribution coefficients in soils and sediments at the adsorption equilibrium time (24 h)

Soil	Ratio (w/v)	Concentrations		Distribution		Distribution Coefficients
		Ce (µg/mL)	X/m (µg/g)	Supernatant (%)	Soil (%)	Kd (mL/g)	KOC (mL/g)
SK961089	1:1	1.449	6.362	19.2	80.8	4.39	87.82
SK961089	1:25	26.298	41.708	78.9	21.1	1.59	31.72
SK961089	Mean					2.99	59.77
SK104691	1:5	5.670	11.350	71.2	28.8	2.00	80.07
SK104691	1:1	2.663	5.138	34.8	65.2	1.93	77.17
SK104691	Mean					1.97	78.62
SK566696	1:5	5.455	12.472	68.4	31.6	2.29	152.41
SK566696	1:1	1.950	6.027	23.5	76.5	3.09	206.04
SK566696	Mean					2.69	179.22
Calwich Abbey	1:5	3.159	23.734	39.8	60.2	7.51	150.27
Calwich Abbey	1:25	5.982	48.996	75.1	24.9	8.19	163.81
Calwich Abbey	Mean					7.85	157.04
Swiss Lake	1:1	2.996	4.899	37.8	62.2	1.64	204.38
Swiss Lake	1:5	5.669	11.978	69.6	30.4	2.11	264.12
Swiss Lake	Mean					1.87	234.25
Calwich Abbey and Swiss Lake were sediments It is not possible to mean the concentration or distribution values as data is taken from different soil: solution ratios

Table 3: The adsorption distribution coefficients Kd and KOC (Kd related to the percent organic carbon in the sample) for each of the three components in each soil and sediment:

Parameter	SK961089 Soil (CS14/05)	SK104691 Soil (CS44/06)	SK566696 Soil (CS67/07)	Calwich Abbey Sediment	Swiss Lake Sediment
Soil texture (UK)	Clay loam	Silty clay loam or silt loam	Loamy sand	Silt loam or sandy silt loam	Sand
pH (0.01 M CaCl2)	7.5	6.0	3.9	7.2	4.7
%OC	5.0	2.5	1.5	5.0	0.8
Monoisopropylnaphthalenesulphonate
Kd(mL/g)	1.39	0.59	1.01	1.82	0.40
KOC(mL/g)	27.74	23.42	67.17	36.47	49.96
Diisopropylnaphthalenesulphonate
Kd(mL/g)	6.77	2.05	2.51	9.75	2.13
KOC(mL/g)	135.42	81.90	167.46	195.09	266.15
Triisopropylnaphthalenesulphonate
Kd(mL/g)	23.02	6.68	7.44	31.30	7.93
KOC(mL/g)	460.37	267.39	495.82	625.92	991.52

Table 4: Calculated distribution coefficients forreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda were as follows:

Parameter	SK961089 Soil (CS14/05)	SK104691 Soil (CS44/06)	SK566696 Soil (CS67/07)	Calwich Abbey Sediment	Swiss Lake Sediment
Soil texture (UK)	Clay loam	Silty clay loam or silt loam	Loamy sand	Silt loam or sandy silt loam	Sand
pH (0.01 M CaCl2)	7.5	6.0	3.9	7.2	4.7
%OC	5.0	2.5	1.5	5.0	0.8
reaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda
Kd(mL/g)	2.99	1.97	2.69	7.85	1.87
KOC(mL/g)	59.77	78.62	179.22	157.04	234.25

 

Remark: the test have been performed  on the multiconstituant substance including Na2SO4 but  that the Koc for the Supragil is expressed only for the organic part of the test item

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

Depending on the soil, reaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda was shown to be of ‘medium’ or ‘high mobility’ according to the McCall classification.

Executive summary:

The adsorption characteristics ofreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic sodawere determined in three soils and two sediments at 20 ± 2°C according to OECD Guideline 106 and GLP. No deviation from the guideline was observed during the test.

The soils and sediments were from the UK. The three soils used were SK961089 (clay loam), SK104691 (silty clay loam or silt loam) and SK566696 (loamy sand) and the two sediments used were Calwich Abbey sediment and Swiss Lake sediment. The three components ofreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic sodastudied were sodium monoisopropylnaphthalenesulphonate, diisopropylnaphthalenesulphonate and triisopropylnaphthalenesulphonate. These accounted for 75.1% of the total components inreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda.

The test was performed in 0.01 M calcium chloride solution using plastic centrifuge tubes. Two soil (sediment) : solution ratios (chosen from 1:1, 1:5 or 1:25 w/v) and an equilibrium time of 24 h was used. The components ofreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic sodawere found to be stable over the timescale of the test. Reaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic sodaconcentrations of 10μg/mL were used to study adsorption characteristics.

The adsorption distribution coefficients Kd and KOC (Kd related to the percent organic carbon in the sample) were determined for each of the three components in each soil and sediment. The overall adsorption coefficients forreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda were also calculated.

 

Parameter	SK961089 Soil (CS14/05)	SK104691 Soil (CS44/06)	SK566696 Soil (CS67/07)	Calwich Abbey Sediment	Swiss Lake Sediment
Soil texture (UK)	Clay loam	Silty clay loam or silt loam	Loamy sand	Silt loam or sandy silt loam	Sand
pH (0.01 M CaCl2)	7.5	6.0	3.9	7.2	4.7
%OC	5.0	2.5	1.5	5.0	0.8
Monoisopropylnaphthalenesulphonate
Kd(mL/g)	1.39	0.59	1.01	1.82	0.40
KOC(mL/g)	27.74	23.42	67.17	36.47	49.96
Diisopropylnaphthalenesulphonate
Kd(mL/g)	6.77	2.05	2.51	9.75	2.13
KOC(mL/g)	135.42	81.90	167.46	195.09	266.15
Triisopropylnaphthalenesulphonate
Kd(mL/g)	23.02	6.68	7.44	31.30	7.93
KOC(mL/g)	460.37	267.39	495.82	625.92	991.52

 

For monoisopropylnaphthalenesulphonate, adsorption distribution coefficients (Kd) per soil were in the range 0.4 to 1.8 mL/g and KOC values were in the range 23 to 67 mL/g. This component has high or very high mobility according to the McCall classification.

For diisopropylnaphthalenesulphonate, adsorption distribution coefficients (Kd) per soil were in the range 2.1 to 9.8 mL/g and KOC values were in the range 82 to 266 mL/g. This component has medium to high mobility according to the McCall classification.

For triisopropylnaphthalenesulphonate, adsorption distribution coefficients (Kd) per soil were in the range 6.7 to 31.3 mL/g and KOC values were in the range 267 to 992 mL/g. This component has low to medium mobility according to the McCall classification.

 

Calculated distribution coefficients forreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda were as follows:

Parameter	SK961089 Soil (CS14/05)	SK104691 Soil (CS44/06)	SK566696 Soil (CS67/07)	Calwich Abbey Sediment	Swiss Lake Sediment
Soil texture (UK)	Clay loam	Silty clay loam or silt loam	Loamy sand	Silt loam or sandy silt loam	Sand
pH (0.01 M CaCl2)	7.5	6.0	3.9	7.2	4.7
%OC	5.0	2.5	1.5	5.0	0.8
reaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda
Kd(mL/g)	2.99	1.97	2.69	7.85	1.87
KOC(mL/g)	59.77	78.62	179.22	157.04	234.25

 

Adsorption distribution coefficients (Kd) per soil were in the range 1.9 to 7.9 mL/g and KOC values were in the range 60 to 234 mL/g. The overall mixture has medium to high mobility according to the McCall classification.

 

Distribution coefficients (Kd) for the three measured components ofreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic sodawere within the range 0.4 to 31.3 mL/g and KOC values were in the range 23 to 992 mL/g. The monoisopropylnaphthalenesulphonate had high or very high mobility, the diisopropylnaphthalenesulphonate had medium to high mobility and the triisopropylnaphthalenesulphonate had low to medium mobility. Mobility therefore decreased in the order mono > di > tri. Overall, the components had low to very high mobility depending on component and soil, according to the McCall classification.

Distribution coefficients (Kd) forreaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic soda were in the range 2.1 to 7.9 mL/g and KOC values were in the range 60 to 234 mL/g. Depending on the soil,reaction product of naphthalene, propan-2-ol, sulfonated and neutralized by caustic sodawas shown to be of ‘medium’ or ‘high mobility’ according to the McCall classification.