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EC number: 300-339-7 | CAS number: 93925-37-2
- 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
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 4 June 2009 - 26 August 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was performed according to guideline.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- 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)
- Remarks:
- Issued by: The Department of Health of the government of the United Kingdom Inspection date: 19 August 2008
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- 2-Propenoic acid, butyl ester, reaction products with butadiene, sulfur and tri-Ph phosphite
- EC Number:
- 300-339-7
- EC Name:
- 2-Propenoic acid, butyl ester, reaction products with butadiene, sulfur and tri-Ph phosphite
- Cas Number:
- 93925-37-2
- Molecular formula:
- C18H15O3P.C7H12O2.C4H6.S as an example
- IUPAC Name:
- 2-Propenoic acid, butyl ester, reaction products with butadiene, sulfur and tri-Ph phosphite
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- 40 degrees C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Agilent Technologies 1050/1100 with autosampler and workstation
- Type: HPLC
- Type, material and dimension of analytical (guard) column: Phenosphere 5 micron CN (250 x 4.6 mm id)
- Detection system: UV at 210 nm
MOBILE PHASES
- Type: Methanol:water (55:45 v/v). The mobile phase was adjusted to 100% methanol using a gradient elution program starting from 55 minutes which was the time after eflution of the DDT standard. This adjustment was made to assure elution of all components.
- Experiments with additives carried out on separate columns: NO
- pH: 6.0
- Solvents for dissolving test and reference substances: acetonitrile
DETERMINATION OF DEAD TIME
- Method: Dead time was determined using the retention time of formamide; an inert substance not retained by the column
REFERENCE SUBSTANCES
- Identity: acetanilide, phenol, atrazine, isoproturon, triadimenol, Linuron, naphthalene, endosulfan-diol, fenthion. See Table 1 for purity and concentrations used.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10 uL of a solution of 1.0056 g/50 mL test substance in acetonitrile
- Quantity of reference substances: 10 uL of reference substance solutions in acetonitrile; concentrations in Table 1)
- Intervals of calibration: HPLC calibrated just prior to injection of test substance.
REPETITIONS
- Number of determinations: Duplicate injections of eference standards and test material were made.
EVALUATION
- Calculation of capacity factors k': Calculated from the dead time and retention times of resference standards as described in guideline
- Calculation of retention times: Dead time for formamide is shown in Table 2. Retention times for standards are shown in Table 3. Retention times for test material are shown in Tables 4.
- Determination of the log Koc value: Determined from a calibration plot of log k' vs. logKoc as described in guideline. Log k' and log Koc values are shown in Table 4.
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- >= 1 110 - ca. 427 000
- Type:
- log Koc
- Value:
- >= 3.05 - ca. 5.63
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: retention times ranged from 3.979 to 43.617 min (See Table 3 )
- Details of fitted regression line (log k' vs. log Koc): slope = 0.339 ; intercept = -0.640 ; R2= 0.972
- Graph of regression line attached: Yes See Figure 1
- Retention data for test substance: Retention times of test material ranged from 9.404 to > 60 min. (See Table 4 and Figure 2)
Any other information on results incl. tables
Table 3: Reference Standards: Retention Times, Capacity Factors and Adsorption Coefficients
Reference Standard |
Injection 1 |
Injection 2 |
Mean |
Capacity factor(k) |
Log k |
Log Koc |
Acetanilide |
3.978 |
3.980 |
3.979 |
0.464 |
-0.334 |
1.25 |
Phenol |
3.811 |
3.810 |
3.811 |
0.402 |
-0.396 |
1.32 |
Atrazine |
5.682 |
5.687 |
5.685 |
1.091 |
0.038 |
1.81 |
Isoproturon |
6.007 |
6.021 |
6.014 |
1.213 |
0.084 |
1.86 |
Triadimenol |
8.112 |
8.116 |
8.114 |
1.985 |
0.298 |
2.40 |
Linuron |
8.496 |
8.500 |
8.498 |
2.127 |
0.328 |
2.59 |
Naphthalene |
7.308 |
7.309 |
7.309 |
1.689 |
0.228 |
2.75 |
Endosulfan-diol |
10.232 |
10.208 |
10.220 |
2.760 |
0.441 |
3.02 |
Fenthion |
13.079 |
13.068 |
13.074 |
3.810 |
0.581 |
3.31 |
α-Endosulfan |
18.882 |
16.942 |
17.912 |
5.590 |
0.747 |
4.09 |
Phenanthrene |
15.182 |
15.188 |
15.185 |
4.587 |
0.662 |
4.09 |
DDT |
43.709 |
43.524 |
43.617 |
15.047 |
1.177 |
5.63 |
Table 4: Test Material: Retention Times, Capacity Factors and Adsorption Coefficients
Peak number |
Injection |
Retention time (min) |
Capacity factor, k |
log K |
logKoc |
Mean log Koc |
% area (mean) |
1 |
1 |
9.404 |
2.460 |
0.391 |
3.040 |
3.05 |
10.8 |
2 |
9.427 |
2.468 |
0.392 |
3.050 |
|||
2 |
1 |
10.518 |
2.870 |
0.458 |
3.240 |
3.240 |
10.1 |
2 |
10.552 |
2.882 |
0.460 |
3.250 |
|||
3 |
1 |
39.838 |
13.657 |
1.135 |
5.240 |
5.240 |
14.7 |
2 |
39.919 |
13.687 |
1.136 |
5.240 |
|||
4 |
1 |
> 60 |
> 21.079 |
> 1.324 |
> 5.63 |
> 5.63 |
64.4 |
2 |
> 60 |
> 21.079 |
> 1.324 |
>5.63 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Remarks:
- Instrument response was linear with an R2 value of 0.972
- Conclusions:
- The test material contains a mixture of components with logKoc values ranging from 3.05 to > 5.63
- Executive summary:
The adsorption coefficient of the test material was determined by HPLC following the guidelines in EU Method C.19. The test substance is a mixture of components with log Koc values ranging from 3.05 to > 5.63. The distribution of log Koc values by area % is:
Mean log Koc
Mean Area %
3.05
10.8
3.24
10.1
5.24
14.7
>5.63
64.4
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