Sulfuric acid, mono-C12-14-alkyl esters, magnesium salts

Adsorption / desorption

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Acceptable, well-documented publication that meets basic scientific principles.

Justification for type of information:

Refer to the Category Approach Justification document provided in IUCLID6 Section 13.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Sorption experiments with sediment from artificial pond (organic carbon content 22%). Determination of alkyl sulfates using methylene blue assay.

GLP compliance:

no

Type of method:

HPLC estimation method

Media:

sediment

Radiolabelling:

no

Test temperature:

25 °C

Details on study design: HPLC method:

IDENTIFICATION AND QUANTIFICATION OF TEST SUBSTANCE/PRODUCT
- Separation method (e.g. HPLC, GC): Gas chromatography (Perkin-Elmer-F33-Chromatograph with FID)
- Conditions (column, mobile phase, etc.): Glass column (1.5 m x 5 mm), packed with 15% (w/w) ethylene glycol succinate silicone (EGSS-X) on 80-100 mesh Chromosorb
- Detection method (e.g. ECD, UV, MS, ICP-AES, ICP-MS): Injector and detector temperatures 225 °C, carrier gas N2 at a pressure of 280 kN/m2

Analytical monitoring:

yes

Details on matrix:

- Details on collection (e.g. location, depth, contamination history, procedure: obtained from artificial pond through which part of a stream at the Institute of Freshwater Ecology, River Laboratory site may be directed, collection on 20 Nov 1988 and 23 March 1989; using fine mesh sieve (2 mm), dried at 85 °C and passed successively through sieves of 2, 0.319 and 0.125 mm size, organic carbon removed, then treatment of 250 g sediment with 500 mL 0.1M NaOH for 24 hours, filtration of supernatant and subsequent acidification with concentrated HCl to final pH of 1.5
- Textural classification (i.e. %sand/silt/clay): clay, particles <0.125 mm, humic fraction used
- Organic carbon (%): 22.2% by weight, however removed by pretreatment with hydrogen peroxide, resulting in humic fraction
- Specific surface area: 8.24 m2/g with BET c constant of 56.0
- Mineral composition: quartz and calcite, some feldspars and mica

Details on test conditions:

TEST SYSTEM
- Type, size and further details on reaction vessel: Adsorption apparatus: solution in contact with suspended adsorbent was circulated via syringe pump (through 0.1 µm cellulose nitrate filter) via valve K, operated by stepper motor, PTFE tubing was flushed thoroughly before sample was directed to fraction collector J; 200 mL 10 mM NaHCO3 was weighed into the adsorption cell and allowed to come to thermal equilibrium with CO2/N2 mixture to give a pH of 7.6 ± 0.02; Adsorbent was added to the cell and left for 1 h before a sample was removed for analysis; stock solution of AS added from autoburette and after 20 min a sample was removed for analysis; Procedure was repeated with successive additions of AS. Isotherm computed from data retrieved from the autoburette and the surfactant.

Type:

Koc

Value:

> 1 337 - < 1 567

Temp.:

25 °C

Type:

log Koc

Value:

> 3.13 - < 3.19

Temp.:

25 °C

Experimentally derived sediment-water partition coefficients (kd) and sorption coefficients for alkyl sulfates on sediment (Marchesi et al. 1991):

CAS	Chain-length	Kd	Koc
142-31-4	C8	16.7-22.3	75-101
1072-15-7	C9	26.1-32.6	118-147
142-87-0	C10	27.1-39.5	122-178
Not available	C11	76.7-81.7	346-368
151-21-3	C12	70.2-99.1	316-446
3026-63-9	C13	135.0-142.7	608-642
1191-50-0	C14	296.7-347.9	1337-1567

 

Reference 2

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Acceptable, well documented publication which meets basic scientific principles.

Justification for type of information:

Refer to the Category Approach Justification document provided in IUCLID6 Section 13.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Sorption experiments with sediment from artificial pond (organic carbon content 22%). Determination of alkyl sulfates using methylene blue assay.

GLP compliance:

no

Type of method:

HPLC estimation method

Media:

sediment

Radiolabelling:

no

Test temperature:

25 °C

Analytical monitoring:

yes

Details on matrix:

- Details on collection (e.g. location, depth, contamination history, procedure: obtained from artificial pond through which part of a stream at the Institute of Freshwater Ecology, River Laboratory site may be directed, collection on 20 Nov 1988 and 23 March 1989; using fine mesh sieve (2mm), dried at 85°C and passed successively through sieves of 2, 0.319 and 0.125 mm size, organic carbon removed, then treatment of 250 g sediment with 500 mL 0.1M NaOH for 24 hours, filtration of supernatant and subsequent acidification with concentrated HCl to final pH of 1.5
- Textural classification (i.e. %sand/silt/clay): clay, particles <0.125mm, humic fraction used
- Organic carbon (%): 22.2% by weight, however removed by pretreatment with hydrogen peroxide, resulting in humic fraction
- Specific surface area: 8.24 m2/g with BET c constant of 56.0
- Mineral composition: quartz and calcite, some feldspars and mica

Details on test conditions:

TEST SYSTEM
- Type, size and further details on reaction vessel: Adsorption apparatus: solution in contact with suspended adsorbent was circulated via syringe pump (through 0.1 µm cellulose nitrate filter) via valve K, operated by stepper motor, PTFE tubing was flushed thoroughly before sample was directed to fraction collector J; 200 mL 10 mM NaHCO3 was weighed into the adsorption cell and allowed to come to thermal equilibrium with CO2/N2 mixture to give a pH of 7.6 ± 0.02; Adsorbent was added to the cell and left for 1 h before a sample was removed for analysis; stock solution of AS added from autoburette and after 20 min a sample was removed for analysis; Procedure was repeated with successive additions of AS. Isotherm computed from data retrieved from the autoburette and the surfactant.

Type:

Koc

Value:

316 - 446

Temp.:

25 °C

% Org. carbon:

22

Details on results (HPLC method):

- Average retention data for test substance: Rapid uptake within the first 20 minutes following the SDS addition indicated a fast adsorption process; after this period, a slow disappearance of SDS from the medium occurred over at least 9 hours. After 1 hour, the linear uptake rate was 0.18 µmol/g/h. A repeat of the experiment in the presence of 0.1% (w/v) sodium azide to inhibit microbial respiration produced similar results with an uptake rate of 0.23 µmol/g/h.

Adsorption and desorption constants:

ki (in dm3/kg):
C12 Sediment 1: ki = 70.2 ± 9.2 (least square line from the isotherms)
C12 Sediment 2: ki = 99.1 ± 12.3 (least square line from the isotherms)

Experimentally derived sediment-water partition coefficients (kd) and sorption coefficients for alkyl sulfates on sediment (Marchesi et al. 1991):

CAS	Chain-length	Kd	Koc
142-31-4	C8	16.7-22.3	75-101
1072-15-7	C9	26.1-32.6	118-147
142-87-0	C10	27.1-39.5	122-178
Not available	C11	76.7-81.7	346-368
151-21-3	C12	70.2-99.1	316-446
3026-63-9	C13	135.0-142.7	608-642
1191-50-0	C14	296.7-347.9	1337-1567

 

Reference 3

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

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

Remarks:

Summary of available data used for the endpoint assessment of the target substance

Adequacy of study:

key study

Justification for type of information:

Refer to the Category Approach Justification document provided in IUCLID6 Section 13.

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Type:

Koc

Value:

316 - 446 dimensionless

Temp.:

25 °C

% Org. carbon:

22

Remarks on result:

other: Source, key, 151-21-3, 1991

Type:

Koc

Value:

> 1 337 - < 1 567 dimensionless

Temp.:

25 °C

% Org. carbon:

22

Remarks on result:

other: Source, key, 1191-50-0, 1991

Details on results (HPLC method):

- Average retention data for test substance: Rapid uptake within the first 20 minutes following the SDS addition indicated a fast adsorption process; after this period, a slow disappearance of SDS from the medium occurred over at least 9 hours. After 1 hour, the linear uptake rate was 0.18 µmol/g/h. A repeat of the experiment in the presence of 0.1% (w/v) sodium azide to inhibit microbial respiration produced similar results with an uptake rate of 0.23 µmol/g/h.

Adsorption and desorption constants:

ki (in dm3/kg):
C12 Sediment 1: ki = 70.2 ± 9.2 (least square line from the isotherms)
C12 Sediment 2: ki = 99.1 ± 12.3 (least square line from the isotherms)

Experimentally derived sediment-water partition coefficients (kd) and sorption coefficients for alkyl sulfates on sediment (Marchesi et al. 1991):

CAS	Chain-length	Kd	Koc
142-31-4	C8	16.7-22.3	75-101
1072-15-7	C9	26.1-32.6	118-147
142-87-0	C10	27.1-39.5	122-178
Not available	C11	76.7-81.7	346-368
151-21-3	C12	70.2-99.1	316-446
3026-63-9	C13	135.0-142.7	608-642
1191-50-0	C14	296.7-347.9	1337-1567

 

Description of key information

Log Koc = 2.5 - 3.19 based on experimental data.

Key value for chemical safety assessment

Koc at 20 °C:

316

Additional information

Since no reliable adsorption tests are available for C12-14AS Mg (CAS 90583-23-6), in accordance to Regulation (EC) No. 1907/2006 Annex XI, 1.5 a read-across to structurally related category members was conducted. Read-across data from C12AS Na homologue (CAS 151-21-3) and C14AS Na homologue (CAS 1191-50-0) were used in order to determine the Koc value of C12-14AS Mg (CAS 90583-23-6). In the publication of Marchesi et al. (1991), sediment sorption data for several alkyl sulfates with different carbon chain lengths are presented. The determined Koc values are:

- for C12 homologue (CAS 151-21-3) between 316 and 446 which corresponds to log Koc values in the range of 2.5 and 2.65.

- for C14 homologue (CAS 1191-50-0) between 1337 and 1567 which corresponds to log Koc values in the range of 3.13 and 3.19.

Due to structural and property similarities with the tested category members it can be concluded that the above results apply also to C12-14AS Mg (CAS 90583-23-6). The Koc range is between 316 and 1567 corresponding to the log Koc range between 2.5 and 3.19. Adsorption of the substance to soil or sediment is therefore low to moderate. For the PNEC sediment and soil derivation according to the equilibrium partitioning method (EPM), the lower boundary of the range (Koc = 316) was taken into account, since this value represents the worst case scenario for the chemical safety assessment.