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EC number: 947-766-0 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From November 16, 2017 to November 29, 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
- 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)
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- < 1.32 dimensionless
- Temp.:
- 25 °C
- Validity criteria fulfilled:
- yes
- Conclusions:
- Under study conditions, the log Koc value of the test substance for soil and sewage sluge was determined to be <1.32 at 25 ± 0.5˚C.
- Executive summary:
A study was conducted to determine the adsorption coefficient (log Koc) of the substance on soil and on sewage sludge according to OECD Guideline 121, in compliance with GLP. In the study, measured HPLC retention data were obtained for 7 reference substances (i.e., sodium nitrate, phenol, methylbenzoate, naphthalene, 1,2,3-Trichlorobenzene, phenanthrene and 4,4' DDT). A solvent blank followed by three injections of a solution of the reference substances were analysed with HPLC; then three injections of a solution of the test substance; and finally three injections of the solution with the reference substances, in total ten runs. For each reference substance, the capacity factor k’ was calculated from the retention time of sodium nitrate and the retention time of the respective reference substance. A calibration function was set up using the literature values for Koc of the reference substances and the mean capacity factor of the six determinations. In the graph log k’ versus log Koc, linear regression was performed, resulting in r2= 0.9962. The chromatogram of the test substance gave 1 large and 2 small peaks after sodium nitrate, used for the determination of the dead time, and before the first reference substance phenol. As peak 3 showed a relative area < 5 %, this peak was considered as minor peak. Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is assumed that the test substance consists mainly of the peaks 1 and 2. Using the correlation log k’ / log Koc, the log Kocof the peaks of the test substance was calculated as -0.210 – 0.037 (peak 1 and 2). Due to the fact that the calculated log Koc of the test substance lay outside the calibrated range ( log Koc :1.32 – 5.63), the log Koc of the test substance was determined to be <1.32. Under study conditions, the log Koc of the test substance, for soil and sewage sludge was determined to be <1.32 at 25 ± 0.5˚C (Brinkmann, 2018).
Reference
Results:
Referencesubstances:
Measurement data: Retention times (RT) reference substances
Compound |
RT1 |
RT2 |
RT3 |
RT4 |
RT5 |
RT6 |
|
min. |
min. |
min. |
min. |
min. |
min. |
Sodium nitrate |
1.015 |
1.017 |
1.017 |
1.053 |
1.040 |
1.042 |
Phenole |
2.879 |
2.879 |
2.877 |
2.877 |
2.877 |
2.877 |
Methylbenzoate |
3.247 |
3.245 |
3.242 |
3.240 |
3.242 |
3.240 |
Naphthaline |
5.075 |
5.070 |
5.060 |
5.060 |
5.064 |
5.064 |
1,2,3-Trichlorbenzene |
6.194 |
6.184 |
6.167 |
6.165 |
6.169 |
6.169 |
Phenanthrene |
9.130 |
9.107 |
9.085 |
9.090 |
9.102 |
9.107 |
4,4’-DDT |
24.185 |
24.035 |
23.955 |
23.978 |
24.042 |
24.069 |
Calculated values: The capacity factors k’ were calculated from the retention times using the equatio. The values are given in the following table.
Mean retention times (RT), capacity factors reference substances
Compound |
RT |
RT |
RT |
k’ |
|
min. |
min. |
% |
|
Sodium nitrate |
1.031 |
0.016 |
1.598 |
0.0000 |
Phenole |
2.877 |
0.001 |
0.032 |
1.7917 |
Methylbenzoate |
3.243 |
0.003 |
0.086 |
2.1461 |
Naphthaline |
5.065 |
0.006 |
0.120 |
3.9147 |
1,2,3-Trichlorbenzene |
6.174 |
0.012 |
0.187 |
4.9906 |
Phenanthrene |
9.103 |
0.016 |
0.174 |
7.8326 |
4,4’-DDT |
24.044 |
0.081 |
0.337 |
22.3286 |
log KOC/ log k’
The log KOCvalues of the reference substances were taken from the guideline. The values for log k’ and log KOCof the reference substances are presented in the following table:
Log k’ and log KOCof reference substances
Compound |
log k’ |
log KOC |
Phenole |
0.2533 |
1.32 |
Methylbenzoate |
0.3317 |
1.80 |
Naphthaline |
0.5927 |
2.75 |
1,2,3-Trichlorbenzene |
0.6981 |
3.16 |
Phenanthrene |
0.8939 |
4.09 |
4,4’-DDT |
1.3489 |
5.63 |
Correlation results
Dead time is 1.031 ± 0.016 minutes, with a RSD of 1.598%.
The RSD of the retention times of the reference substances lay all below 1% except for sodium nitrate (RSD of retention times 1.598%).
Equation of the regression:
log
k’ =
0.2546 * logKOC– 0.1091
with a coefficient of determination r2 =
0.9962
Test substance
Measurement data: Retention times (RT) test substance
Measurement |
RT 1 |
RT 2 |
RT 3 |
|
min. |
min. |
min. |
Measurement 1 |
1.715 |
1.805 |
2.097 |
Measurement 2 |
1.737 |
1.827 |
2.100 |
Measurement 3 |
1.767 |
1.922 |
2.097 |
Mean |
1.740 |
1.851 |
2.098 |
Standard Deviation |
0.026 |
0.062 |
0.002 |
Peak areas test substance
Measurement |
Area Peak 1 |
Relative Area |
Area Peak 2 |
Relative Area |
|
mAU*min |
% |
mAU*min |
% |
Measurement 1 |
0.5345 |
85.53 |
0.0616 |
9.86 |
Measurement 2 |
0.6010 |
88.60 |
0.0520 |
7.67 |
Measurement 3 |
0.6211 |
90.97 |
0.0369 |
5.41 |
Mean |
0.586 |
88.37 |
0.050 |
7.64 |
Relative Standard Deviation |
7.7% |
3.1% |
24.8% |
29.1% |
Measurement |
Area Peak 3 |
Relative Area |
|
|
|
mAU*min |
% |
|
|
Measurement 1 |
0.0288 |
4.61 |
|
|
Measurement 2 |
0.0253 |
3.73 |
|
|
Measurement 3 |
0.0248 |
3.63 |
|
|
Mean |
0.026 |
3.99 |
|
|
Relative Standard Deviation |
8.3% |
13.5% |
|
As peak 3 showed a relative area < 5%, this peak was considered as minor peak.
Calculated values:The calculated values are presented in the following table:
Capacity Factor, log capacity factor, log KOCtest substance
Peak 1 Test Substance |
k’ |
log k’ |
log KOC |
Measurement 1 |
0.6640 |
-0.1779 |
-0.270 |
Measurement 2 |
0.6852 |
-0.1642 |
-0.216 |
Measurement 3 |
0.7143 |
-0.1461 |
-0.145 |
Mean |
|
|
-0.210 |
Standard deviation |
|
|
0.062 |
Peak 2 Test Substance |
k’ |
log k’ |
log KOC |
Measurement 1 |
0.7513 |
-0.1242 |
-0.059 |
Measurement 2 |
0.7725 |
-0.1121 |
-0.012 |
Measurement 3 |
0.8647 |
-0.0632 |
0.181 |
Mean |
|
|
0.037 |
Standard deviation |
|
|
0.127 |
Peak 3 Test Substance |
k’ |
log k’ |
log KOC |
Measurement 1 |
1.0343 |
0.0146 |
0.486 |
Measurement 2 |
1.0377 |
0.0161 |
0.492 |
Measurement 3 |
1.0344 |
0.0147 |
0.487 |
Mean |
|
|
0.488 |
Standard deviation |
|
|
0.003 |
log KOCwas calculated from the capacity factor as follows:
log KOC= (log k’ + 0.1091) / 0.2546
Result and validity:
As peak 3 showed a relative area < 5 %, this peak was considered as minor peak. Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is assumed that the test substance consists mainly of the peaks 1 and 2. All peaks of the test substance solution lay after sodium nitrate, used for the determination of the dead time, and before the first reference substance phenol. Using the correlation log k’ / log KOC, the log KOCof the peaks of the test substance was calculated as -0.210 – 0.037 (peak 1 and 2). Due to the fact that the calculated log KOCof the test substance lay outside the calibrated range (1.32 – 5.63), the log KOCof the test substance is stated as < 1.32.
Validity criteria and Results
Peak |
Parameter |
Criterion |
Found |
Assessment |
1 |
Range (Max – Min. log KOC) |
< 0.25 |
0.125 |
valid |
Value within Range of Reference Substances |
1.32 - 5.63 |
-0.210 |
not valid* |
|
2 |
Range (Max – Min. log KOC) |
< 0.25 |
0.240 |
valid |
Value within Range of Reference Substances |
1.32 - 5.63 |
0.037 |
not valid* |
|
3 |
Range (Max – Min. log KOC) |
< 0.25 |
0.006 |
valid |
Value within Range of Reference Substances |
1.32 - 5.63 |
0.488 |
not valid* |
* The calculated log KOCof the test substance peaks lay outside the calibrated range (1.32 – 5.63), because the peaks eluted in the dead time of the method.
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 20.89
Additional information
A study was conducted to determine the adsorption coefficient (log Koc) of the substance on soil and on sewage sludge according to OECD Guideline 121, in compliance with GLP. In the study, measured HPLC retention data were obtained for 7 reference substances (i.e., sodium nitrate, phenol, methylbenzoate, naphthalene, 1,2,3-Trichlorobenzene, phenanthrene and 4,4' DDT). A solvent blank followed by three injections of a solution of the reference substances were analysed with HPLC; then three injections of a solution of the test substance; and finally three injections of the solution with the reference substances, in total ten runs. For each reference substance, the capacity factor k’ was calculated from the retention time of sodium nitrate and the retention time of the respective reference substance. A calibration function was set up using the literature values for Koc of the reference substances and the mean capacity factor of the six determinations. In the graph log k’ versus log Koc, linear regression was performed, resulting in r2= 0.9962. The chromatogram of the test substance gave 1 large and 2 small peaks after sodium nitrate, used for the determination of the dead time, and before the first reference substance phenol. As peak 3 showed a relative area < 5 %, this peak was considered as minor peak. Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is assumed that the test substance consists mainly of the peaks 1 and 2. Using the correlation log k’ / log Koc, the log Koc of the peaks of the test substance was calculated as -0.210 – 0.037 (peak 1 and 2). Due to the fact that the calculated log Koc of the test substance lay outside the calibrated range ( log Koc :1.32 – 5.63), the log Koc of the test substance was determined to be <1.32. Under study conditions, the log Koc of the test substance, for soil and sewage sludge was determined to be <1.32 at 25 ± 0.5˚C (Brinkmann, 2018).
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