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EC number: 284-902-1 | CAS number: 84989-13-9
- 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
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:
- 11 July 2017 - 25 September 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study was conducted in accordance with international guidelines and in accordance with GLP. All guideline validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- Regulation (EC) 440/2008 of 30 May 2008
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 13 April 2004
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: N/A - Partition coefficient determined by HPLC method.
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 3.74 - <= 5.87
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Mean Value
- Remarks:
- Test item is a complex substance. Reported values relate to the first and last eluting peaks.
- Conclusions:
- Log Pow was determined to be 3.74 - 5.87, with an absolute deviation of ≤ 0.02.
- Executive summary:
EU Method A.8. – The partition coefficient of the test item was determined using the HPLC method. The procedure employed was designed to be compatible with Method A.8. Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008.
Analysis was performed using a solid phase of long hydrocarbon chains chemically bound onto silica (Luna 5µ C18(2) 100A; 250 x 3.0 mm), with a mobile phase mixture of 75 % methanol and 25 % 0.01 M phosphate buffer (pH 7). A PDA detector at 220 nm was used for both the test item and reference substances. Reference items were used to determine column dead time and regression coefficients.
For the test item a mean measured partition coefficient range of log Pow = 3.74 – 5.87, with an absolute deviation of ≤ 0.02 log units at 20 °C ± 1 °C was determined.
Reference
Table 7: Retention time and log Pow of test item (mean of two runs)
Run |
Retention time |
Mean retention time |
Absolute deviation |
log POW |
Mean log Pow |
Absolute deviation of log Pow |
1 |
5.478 – 24.294 |
5.45 – 24.16 |
≤ 0.28 |
3.74 – 5.88 |
3.74 – 5.87 |
≤ 0.02 |
2 |
5.421 – 24.016 |
3.73 – 5.86 |
As the test item eluted as a several peaks, the first and the last signal were used to calculate the range of the log Pow.
Table 8: Calibration parameters
Run |
|
Slope |
|
Intercept |
R2 |
1 |
Log Pow = |
2.886969 |
x log k |
+ 2.252409 |
0.9917 |
2 |
Log Pow = |
2.887338 |
x log k |
+ 2.252913 |
0.9917 |
Table 9: Run 1, values for determination of Pow, dead time and calibration graph.
Name |
Log Pow |
Retention time (min) |
Mean retention time (min) |
Standard Deviation (min) |
log k |
Log Pow (determined) |
Mean log Pow |
SD log Pow |
Test Item |
-
|
5.483 - 24.372 |
5.478 - 24.294 |
0.006 - 0.064 |
0.517 - 1.257 |
3.74 - 5.88 |
3.74 - 5.88 |
0.00 - 0.00 |
5.480 - 24.279 |
0.517 - 1.255 |
3.74 - 5.88 |
||||||
5.480 - 24.305 |
0.517 - 1.256 |
3.74 - 5.88 |
||||||
5.470 - 24.218 |
0.516 - 1.254 |
3.74 - 5.87 |
||||||
Thiourea |
- |
1.277 |
1.278 |
0.001 |
- |
- |
- |
- |
1.278 |
||||||||
1.278 |
||||||||
1.279 |
||||||||
Naphthalene |
3.6 |
5.022 |
5.030 |
0.007 |
0.467 |
3.60 |
3.60 |
0.00 |
5.028 |
0.468 |
3.60 |
||||||
5.035 |
0.468 |
3.60 |
||||||
5.036 |
0.468 |
3.60 |
||||||
Benzylbenzoate |
4.0 |
5.939 |
5.950 |
0.009 |
0.562 |
3.87 |
3.88 |
0.00 |
5.947 |
0.563 |
3.88 |
||||||
5.956 |
0.564 |
3.88 |
||||||
5.959 |
0.564 |
3.88 |
||||||
Phenanthrene |
4.5 |
9.736 |
9.754 |
0.015 |
0.821 |
4.62 |
4.63 |
0.01 |
9.748 |
0.821 |
4.62 |
||||||
9.763 |
0.822 |
4.63 |
||||||
9.768 |
0.822 |
4.63 |
||||||
Fluoranthene |
5.1 |
13.641 |
13.671 |
0.024 |
0.986 |
5.10 |
5.10 |
0.00 |
13.662 |
0.986 |
5.10 |
||||||
13.688 |
0.987 |
5.10 |
||||||
13.694 |
0.987 |
5.10 |
||||||
Triphenylamine |
5.7 |
24.306 |
24.365 |
0.050 |
1.256 |
5.88 |
5.88 |
0.00 |
24.340 |
1.256 |
5.88 |
||||||
24.401 |
1.258 |
5.88 |
||||||
24.411 |
1.258 |
5.88 |
||||||
4,4'-DDT |
6.5 |
33.791 |
33.866 |
0.061 |
1.406 |
6.31 |
6.31 |
0.00 |
33.842 |
1.406 |
6.31 |
||||||
33.923 |
1.407 |
6.31 |
||||||
33.907 |
1.407 |
6.31 |
Table 10: Run 2, values for determination of Pow, dead time and calibration graph.
Name |
Log Pow |
Retention time (min) |
Mean retention time (min) |
Standard Deviation (min) |
log k |
Log Pow (determined) |
Mean log Pow |
SD log Pow |
Test Item |
-
|
5.426 - 24.044 |
5.421 - 24.016 |
0.006 - 0.031 |
0.511 - 1.250 |
3.73 - 5.86 |
3.73 - 5.86 |
0.00 - 0.00 |
5.421 - 24.024 |
0.510 - 1.250 |
3.73 - 5.86 |
||||||
5.423 - 24.024 |
0.511 - 1.250 |
3.73 - 5.86 |
||||||
5.412 - 23.971 |
0.509 - 1.249 |
3.72 - 5.86 |
||||||
Thiourea |
- |
1.279 |
1.279 |
0.000 |
- |
- |
- |
- |
1.279 |
||||||||
1.278 |
||||||||
1.279 |
||||||||
Naphthalene |
3.6 |
5.038 |
5.033 |
0.004 |
0.468 |
3.60 |
3.60 |
0.00 |
5.031 |
0.467 |
3.60 |
||||||
5.030 |
0.467 |
3.60 |
||||||
5.031 |
0.467 |
3.60 |
||||||
Benzylbenzoate |
4.0 |
5.961 |
5.954 |
0.005 |
0.564 |
3.88 |
3.88 |
0.00 |
5.951 |
0.563 |
3.88 |
||||||
5.951 |
0.563 |
3.88 |
||||||
5.953 |
0.563 |
3.88 |
||||||
Phenanthrene |
4.5 |
9.768 |
9.756 |
0.008 |
0.822 |
4.63 |
4.62 |
0.00 |
9.751 |
0.821 |
4.62 |
||||||
9.751 |
0.821 |
4.62 |
||||||
9.754 |
0.821 |
4.62 |
||||||
Fluoranthene |
5.1 |
13.694 |
13.677 |
0.012 |
0.987 |
5.10 |
5.10 |
0.00 |
13.668 |
0.986 |
5.10 |
||||||
13.670 |
0.986 |
5.10 |
||||||
13.674 |
0.986 |
5.10 |
||||||
Triphenylamine |
5.7 |
24.406 |
24.375 |
0.021 |
1.257 |
5.88 |
5.88 |
0.00 |
24.361 |
1.256 |
5.88 |
||||||
24.368 |
1.257 |
5.88 |
||||||
24.364 |
1.256 |
5.88 |
||||||
4,4'-DDT |
6.5 |
33.899 |
33.854 |
0.031 |
1.407 |
6.32 |
6.31 |
0.01 |
33.836 |
1.406 |
6.31 |
||||||
33.846 |
1.406 |
6.31 |
||||||
33.834 |
1.406 |
6.31 |
Description of key information
Partition coefficient: Log Pow = 3.74 - 5.87; EU Method A.8.; C Bär (2017)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.81
- at the temperature of:
- 20 °C
Additional information
EU Method A.8. – The partition coefficient of the test item was determined using the HPLC method. The procedure employed was designed to be compatible with Method A.8. Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008.
Analysis was performed using a solid phase of long hydrocarbon chains chemically bound onto silica (Luna 5µ C18(2) 100A; 250 x 3.0 mm), with a mobile phase mixture of 75 % methanol and 25 % 0.01 M phosphate buffer (pH 7). A PDA detector at 220 nm was used for both the test item and reference substances. Reference items were used to determine column dead time and regression coefficients.
For the test item a mean measured partition coefficient range of log Pow = 3.74 – 5.87, with an absolute deviation of ≤ 0.02 log units at 20 °C ± 1 °C was determined.
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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