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EC number: 276-900-4 | CAS number: 72829-09-5
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017-04-10 to 2017-07-20
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 40 °C
- pH:
- 6
- Conclusions:
- CONCLUSIONS
Under the chromatographic conditions specified, the test substance eluted as one peak. The corresponding mean n-octanol/water partition coefficient (Log POW) for the test substance was >6.50. - Executive summary:
Under the chromatographic conditions specified, the test substance eluted as one peak on the ultraviolet (UV) detector. The
corresponding Log POW for the test substance was >6.50.
Reference
RESULTS AND DISCUSSION
A total of seven reference substances were prepared and injected in duplicate (once at the beginning and once near the end of the HPLC sequence). The retention times for one of the reference substances, thiourea, was used to determine the analytical column dead time (t0) for use in calculating capacity factors (k) of the remaining reference substances and the test substance. The mean retention time of thiourea was 0.849 minutes.
Six additional reference substances were analyzed. The capacity factors of all the reference substances were calculated based upon their retention times. Calculated Log k values for the reference substances are presented in Table 4.
Table 4 Reference Standards Retention Times, Capacity Factors, and Log POWValues
Reference Standard |
Concentration (mg/L) |
Retention Time (minutes) |
Capacity Factor (k)1,2 |
log k2
|
log POW3
|
Thiourea |
10.0 |
0.851 0.846 |
N/A |
N/A |
N/A |
Acetanilide |
20.0 |
0.951 0.951 |
0.121 0.121 |
-0.918 -0.918 |
1.00 |
2-Nitrophenol |
10.0 |
1.148 1.142 |
0.353 0.346 |
-0.452 -0.461 |
1.80 |
Toluene |
50.0 |
1.822 1.820 |
1.147 1.145 |
0.0597 0.0588 |
2.70 |
Naphthalene |
5.00 |
2.176 2.171 |
1.565 1.559 |
0.194 0.193 |
3.60 |
Fluoranthene |
5.02 |
5.526 5.520 |
5.513 5.506 |
0.741 0.741 |
5.10 |
4’-DDT |
50.0 |
9.886 9.863 |
10.651 10.624 |
1.027 1.026 |
6.50 |
1 Capacity factor (k) is the standard retention time minus the mean column dead time (0.849 minutes for thiourea) divided by the mean column dead time. 2 Values obtained utilizing Microsoft® Excel 2010 in full precision mode. Manual calculations may differ slightly. 3 Log POWvalues are based on literature values provided in OECD Guideline 117. |
Before the initial injection of the reference standards, an injection of a reagent blank solution (75%:25% MeOH: H2O, v/v) showed that the reagents used were free of any contaminants and confirmed the peak retention assignments for the reference substances.
The three 0.100 mg a.i./mL test substance solutions were sequentially injected. The test substance eluted as one distinct peak on the UV detector. A fourth test substance solution at 0.500 mg a.i./mL was subsequently injected to verify that the peak was correctly attributed to the test substance. Only peaks that had an area count of greater than 5% of the total area of the test substance peaks were included in the Log POW calculations. The capacity factor (k) was calculated based on the retention times and the results for the three injections were averaged. Because the retention time was greater than the retention time of the highest Log POW standard, the corresponding Log POW value for the test substance was determined to be >6.50. The calculated mean retention time, capacity factor, and mean n-octanol/water partition coefficient for the test substance are presented in Table 5.
Table 5 Logn-Octanol/Water Partition Coefficients (Log POW) Based on UV Data for the Test Substance
|
Sample Number (524C-143-) |
Retention Time (minutes) |
Mean () Standard Deviation (SD)1 |
Log POW1 |
Mean () Standard Deviation (SD)1 |
|
|
1 2 3 |
22.381 22.379 22.376 |
= 22.379 SD = 0.0025 |
>6.50 >6.50 >6.50 |
= >6.50 SD = N/A |
|
1Values obtained utilizing Microsoft® Excel 2010 in full precision mode. Manual calculations may differ slightly. |
|
Description of key information
The octanol/water partition coefficient of the test item was determined in an experimental study performed in accordance with the following test guidelines: OECD 117, OPPTS 830.7570, Official Journal of the European Communities No. L383 Method A.8: Partition Coefficient and TSCA Title 40 of the Federal Code of Regulations, Part 796, Section 1570: Partition Coefficient (n-Octanol/Water) - Estimation by Liquid Chromatography, and GLP requirements.
Under the chromatographic conditions specified, the test substance eluted as one peak. The corresponding mean n-octanol/water partition coefficient (Log POW) for the test substance was >6.50.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 40 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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