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Diss Factsheets
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EC number: - | 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- > 6.2
- Temp.:
- 25 °C
- Remarks on result:
- other: PH value is not available
- Conclusions:
- In a GLP-study according to OECD Test Guideline 117 (HPLC), the log Pow of the registered substance was determined to be > 6.2.
- Executive summary:
The log Pow of the registered substance was determined in a GLP-study according to OECD Test Guideline 117 (HPLC).
The study was performed using a HPLC with a C18 column. Eight reference items with different retention times (including DDT as reference substance with the highest log POW) and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POWare correlated. The reference items were chosen on behalf of calculated log POW.
Different mobile phases (mixtures of methanol-water and of acetonitrile-water) were tested with the test item solution and compared with the reference substance mix. Because minor compounds (area < 5 %) are detected in the retention time range of the reference mix only, the main test with three injections of reference mix solution, three injections of test item solution and three injections of reference mix solution is not performed.The test item solution showed peaks between 10.8 and 100 minutes. As peaks 1 – 4, 6, 7, 9, 10 and 12 showed a relative area < 5 %, they were considered as minor peaks. Although area is not necessarily correlated to absolute concentration if UV detection is used, it is believed that the test item CARDOLITE NC-513 consists mainly of peaks 5, 8, 11 and 13. Peaks 5, 8 and 11 gave retention times higher than the retention time of DDT with log POW6.2.
The log POWof the test item is therefore stated as > 6.2.
Reference
Reference Items
Retention Times Reference Items
Compound |
RT |
min. |
|
Thiourea |
1.130 |
Acetophenone |
1.760 |
Naphthalene |
3.170 |
Diphenylether |
3.780 |
Phenanthrene |
4.720 |
Fluoranthene |
5.890 |
Triphenylamine |
8.930 |
DDT |
11.680 |
Calculated Values
For each reference item, the calculated capacity factors, log K and log POWare presented in the following tbake.
Capacity factors Reference Items
Compound |
Retention Time |
K |
log K |
log POW |
min. |
- |
- |
- |
|
Thiourea |
1.130 |
0.0000 |
- |
- |
Acetophenone |
1.760 |
0.5575 |
-0.2537 |
1.70 |
Naphthalene |
3.170 |
1.8053 |
0.2566 |
3.60 |
Diphenylether |
3.780 |
2.3451 |
0.3702 |
4.20 |
Phenanthrene |
4.720 |
3.1770 |
0.5020 |
4.50 |
Fluoranthene |
5.890 |
4.2124 |
0.6245 |
4.70* |
Triphenylamine |
8.930 |
6.9027 |
0.8390 |
5.70 |
DDT |
11.680 |
9.3363 |
0.9702 |
6.20* |
*stated in EUMethod A.8
Dead time is 1.13 minutes.
Equation of the regression:
log k = 0.2751 * log POW– 0.73
with a coefficient of determination r2= 0.9929
Retention Times Test Item and Areas
Peak No. |
Retention Time |
Area |
Rel.Area |
min. |
mAU*min |
% |
|
1 |
10.79 |
0.105 |
0.8 |
2 |
19.82 |
0.163 |
1.2 |
3 |
23.87 |
0.514 |
3.9 |
4 |
26.5 |
0.174 |
1.3 |
5 |
31.08 |
0.69 |
5.2 |
6 |
34.31 |
0.651 |
4.9 |
7 |
36.06 |
0.357 |
2.7 |
8 |
38.01 |
4.285 |
32.4 |
9 |
41.86 |
0.134 |
1.0 |
10 |
47.68 |
0.336 |
2.5 |
11 |
58.56 |
1.653 |
12.5 |
12 |
80.81 |
0.454 |
3.4 |
13 |
100 |
3.727 |
28.1 |
As peaks 1 – 4, 6, 7, 9, 10 and 12 showed a relative area < 5%, they were considered as minor peaks.
Description of key information
partition coefficient at 25°C (determined using OECD 117, HPLC method; GLP): log10Kow >6.20.
The limit value of 6.2 is based on the retention time of the reference substance (DDT).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.2
- at the temperature of:
- 25 °C
Additional information
In a GLP-study according to OECD Test Guideline 117 (HPLC), the log Pow of the registered substance was determined to be > 6.2.
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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