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EC number: 271-708-7 | CAS number: 68604-99-9
- 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:
- January-July 2018
- 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
- Type of method:
- HPLC estimation method
- Media:
- soil
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 0101891886
- Expiration date of the lot/batch: 14 September 2018 (retest date)
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: stable
- Solubility and stability of the test substance in the solvent/vehicle: Not indicated - Radiolabelling:
- not specified
- Test temperature:
- 30
- Details on study design: HPLC method:
- The principle of the test method is similar to that of the OECD guideline no. 117: "Partition coefficient (n-octanol/water), high performance liquid chromatography (HPLC) method". While passing through the column along with the mobile phase the test item interacts with the stationary phase. As a result of partitioning between mobile and stationary phases, the test item is retarded. The dual composition of a cyanopropyl stationary phase, having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the Koc on organic matter to be established.
According to the guidelines, the determination of the Koc for test items that are ionized for at least 10% within pH 5.5 to 7.5 should be performed with both the ionized and non-ionized form. Since the test item is an UVCB, the HPLC method was performed at pH 7 and pH 2.
Solutions of reference substances with known log Koc values based on soil adsorption data and the test item were analyzed. The capacity factor (k') of each compound was calculated from its retention time. The log k’ values of the references substances were plotted against the known log Koc values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Koc value for the test item was calculated by substituting its mean log k’ in the calibration curve. The value of log Koc obtained from duplicate measurements was within +- 0.25 log units. - Analytical monitoring:
- yes
- Remarks:
- See details in section "information on material and methods incl. tables"
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.26 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 3.36 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #3
- Type:
- log Koc
- Value:
- 3.43 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #4
- Type:
- log Koc
- Value:
- 3.76 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #5
- Type:
- log Koc
- Value:
- 3.83 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #6
- Type:
- log Koc
- Value:
- 4.46 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #7
- Type:
- log Koc
- Value:
- 5.02 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #8
- Type:
- log Koc
- Value:
- 5.21 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #9
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #10
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #11
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #12
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 2
- Temp.:
- 30 °C
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.26 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Remarks on result:
- other: Same reuslts for peaks from 1 to 4
- Sample No.:
- #5
- Type:
- log Koc
- Value:
- 0.9 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Sample No.:
- #6
- Type:
- log Koc
- Value:
- 1.49 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Sample No.:
- #7
- Type:
- log Koc
- Value:
- 4.42 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Sample No.:
- #8
- Type:
- log Koc
- Value:
- 5.16 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Sample No.:
- #9
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Details on results (HPLC method):
- See list of figures in the attached background material section and the tables in the section "any other information in results incl. tables".
pH 7
UPLC-UV chromatograms of the test item solution and corresponding blank are shown in Figure 16 and Figure 17, respectively. In the chromatogram of the test solution, several peaks were observed.
The results of the HPLC method are given in Table 36. Figure 18 shows the calibration curve of the log k’ of the reference substances as function of log Koc. The equation of the regression line was: log k’ = 0.318 ´ log Koc – 0.863 (r = 0.98, n = 16).
pH 2
UPLC-UV chromatograms of the test item solution and corresponding blank are shown in Figure 19 and Figure 20, respectively. In the chromatogram of the test solution, several peaks were observed.
The results of the HPLC method are given in Table 37. Figure 21 shows the calibration curve of the log k’ of the reference substances as function of log Koc. The equation of the regression line was: log k’ = 0.317 ´ log Koc – 0.850 (r = 0.98, n = 14).
- Transformation products:
- not measured
- Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of Fatty acids, C18-unsatd., phosphates.
The Koc and log Koc values of the test item at neutral pH and pH 2 were at 12 peaks. The Log Koc range from 1.26 to 5.63. List of results foudn table 38 in section "any other information on results incl. tables".
Reference
Table 36
pH 7: Kocof the Test Item
Substance |
Retention time (min) |
log Koc |
Koc |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
Formamide (t0) |
0.716 |
0.715 |
0.716 |
|
|
|
Acetanilide |
0.917 |
0.922 |
0.920 |
1.26 |
|
|
Monuron |
1.120 |
1.122 |
1.121 |
1.99 |
|
|
2,5-Dichloroaniline |
1.258 |
1.262 |
1.260 |
2.55 |
|
|
Naphthalene |
1.468 |
1.469 |
1.469 |
2.75 |
|
|
Benzoic acid phenylester |
1.749 |
1.751 |
1.750 |
2.87 |
|
|
Fenthion |
2.271 |
2.266 |
2.269 |
3.31 |
|
|
Phenanthrene |
2.514 |
2.511 |
2.513 |
4.09 |
|
|
4,4’-DDT |
5.921 |
5.851 |
5.886 |
5.63 |
|
|
Test item – peak 1 |
0.457 |
0.458 |
0.458 |
< 1.26 |
<1.8´101 |
15 |
Test item – peak 2 |
0.533 |
0.534 |
0.534 |
< 1.26 |
<1.8´101 |
30 |
Test item – peak 3 |
0.656 |
0.657 |
0.657 |
< 1.26 |
<1.8´101 |
1.6 |
Test item – peak 4 |
0.722 |
0.723 |
0.723 |
< 1.26 |
<1.8´101 |
2.4 |
Test item – peak 5 |
0.904 |
0.906 |
0.905 |
0.90 |
7.9´100 |
6.5 |
Test item – peak 6 |
1.007 |
1.009 |
1.008 |
1.49 |
3.1´101 |
21 |
Test item – peak 7 |
3.216 |
3.210 |
3.213 |
4.42 |
2.6´104 |
18 |
Test item – peak 8 |
5.004 |
4.988 |
4.996 |
5.16 |
1.4´105 |
1.1 |
Test item – peak 9 |
12.105 |
12.122 |
12.114 |
> 5.63 |
>4.3´105 |
5.4 |
Table 37
pH 2: Kocof the Test Item
Substance |
Retention time (min) |
log Koc |
Koc |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
Formamide (t0) |
0.716 |
0.714 |
0.715 |
|
|
|
Acetanilide |
0.922 |
0.920 |
0.921 |
1.26 |
|
|
Monuron |
1.123 |
1.121 |
1.122 |
1.99 |
|
|
Naphthalene |
1.464 |
1.464 |
1.464 |
2.75 |
|
|
Benzoic acid phenylester |
1.723 |
1.721 |
1.722 |
2.87 |
|
|
Fenthion |
2.280 |
2.280 |
2.280 |
3.31 |
|
|
Phenanthrene |
2.504 |
2.501 |
2.503 |
4.09 |
|
|
4,4’-DDT |
6.069 |
6.071 |
6.070 |
5.63 |
|
|
Test item – peak 1 |
0.907 |
0.907 |
0.907 |
< 1.26 |
<1.8´101 |
2.0 |
Test item – peak 2 |
1.893 |
1.893 |
1.893 |
3.36 |
2.3´103 |
1.6 |
Test item – peak 3 |
1.950 |
1.951 |
1.951 |
3.43 |
2.7´103 |
4.4 |
Test item – peak 4 |
2.291 |
2.297 |
2.294 |
3.76 |
5.8´103 |
4.2 |
Test item – peak 5 |
2.363 |
2.374 |
2.369 |
3.83 |
6.7´103 |
9.2 |
Test item – peak 6 |
3.160 |
3.161 |
3.161 |
4.36 |
2.3´104 |
10 |
Test item – peak 7 |
4.663 |
4.667 |
4.665 |
5.02 |
1.0´105 |
1.8 |
Test item – peak 8 |
5.248 |
5.252 |
5.250 |
5.21 |
1.6´105 |
8.5 |
Test item – peak 9 |
7.218 |
7.220 |
7.219 |
> 5.63 |
>4.3´105 |
33 |
Test item – peak 10 |
11.501 |
11.504 |
11.503 |
> 5.63 |
>4.3´105 |
14 |
Test item – peak 11 |
15.644 |
15.717 |
15.681 |
> 5.63 |
>4.3´105 |
1.5 |
Test item – peak 12 |
23.123 |
23.209 |
23.166 |
> 5.63 |
>4.3´105 |
8.6 |
Table 38.
The Kocand log Kocvalues of the test item at neutral pH and pH 2 were:
|
neutral pH |
pH 2 |
||||
Koc |
log Koc |
Peak area |
Koc |
log Koc |
Peak area |
|
Test item – peak 1 |
<1.8´101 |
< 1.26 |
15 |
<1.8´101 |
< 1.26 |
2.0 |
Test item – peak 2 |
<1.8´101 |
< 1.26 |
30 |
2.3´103 |
3.36 |
1.6 |
Test item – peak 3 |
<1.8´101 |
< 1.26 |
1.6 |
2.7´103 |
3.43 |
4.4 |
Test item – peak 4 |
<1.8´101 |
< 1.26 |
2.4 |
5.8´103 |
3.76 |
4.2 |
Test item – peak 5 |
7.9´100 |
0.90 |
6.5 |
6.7´103 |
3.83 |
9.2 |
Test item – peak 6 |
3.1´101 |
1.49 |
21 |
2.3´104 |
4.36 |
10 |
Test item – peak 7 |
2.6´104 |
4.42 |
18 |
1.0´105 |
5.02 |
1.8 |
Test item – peak 8 |
1.4´105 |
5.16 |
1.1 |
1.6´105 |
5.21 |
8.5 |
Test item – peak 9 |
>4.3´105 |
> 5.63 |
5.4 |
>4.3´105 |
> 5.63 |
33 |
Test item – peak 10 |
- |
- |
- |
>4.3´105 |
> 5.63 |
14 |
Test item – peak 11 |
- |
- |
- |
>4.3´105 |
> 5.63 |
1.5 |
Test item – peak 12 |
- |
- |
- |
>4.3´105 |
> 5.63 |
8.6 |
Description of key information
The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc)of Fatty acids, C18-unsatd., phosphates.It followed EC C-19 and OECD 121 Guidance. The Kocand log Kocvalues of the test item at neutral pH and pH 2 were:
pH7: log Koc : range from <1.26 - >5.63
pH2: log Koc : range from <1.26 - >5.63
For CSA purposes, a value of 5.63 was chosen.
Key value for chemical safety assessment
- Koc at 20 °C:
- 5.63
Additional information
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