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EC number: 608-605-7 | CAS number: 313482-99-4
- 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:
- 2003-01-31
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- structural formula and CAS number of the reference substances and the CAS Number of the test substance are missing
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 1992
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 1989
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- signed, 2002-07-09
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Storage condition of test material: In the freezer protected from light, under nitrogen
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 23 °C
- Remarks on result:
- other: no pH reported
- Conclusions:
- The logPow for the test substance was determined to 5.6 at 23 ± 0.5 °C using the HPLC method. In addition, the logPow was calculated using the Rekker method resulting in a logPow of 5.9. Both results are in good agreement.
Reference
Calculation method:
From the structural formula of the test substance, the log Pow was calculated to be 5.9, using the Rekker calculation method.
HPLC method:
One large and nine small test substance peaks were observed in the chromatograms of the 119.8 mg/L test substance solution. It was assumed that the large peak derives from the major component of the test substance whereas the small peaks derive from impurities.
The t0 (retention time of the unretarded component) was determined to be 1.092 min (mean of 1.092 and 1.091 min).
Substance |
tr* |
k’ |
log k’ |
log Pow |
Pow |
% of total peak area |
Reference substances |
||||||
Ethylmethylketone |
1.341 |
0.228 |
-0.642 |
0.3 |
|
|
Nitrobenzene |
2.020 |
0.850 |
-0.070 |
1.9 |
|
|
1,4-Dichlorobenzene |
4.875 |
3.466 |
0.540 |
3.4 |
|
|
1,2,4-Trichlorobenzene |
8.326 |
6.628 |
0.821 |
4.2 |
|
|
Triphenylamine |
18.897 |
16.312 |
1.213 |
5.7 |
|
|
2,4-DDT |
28.082 |
24.727 |
1.393 |
6.2 |
|
|
Test substance |
||||||
impurity 1 (peak 1) |
0.75 |
-0.313 |
-0.504 |
<0.3** |
<2.0 x 100 |
2.7 |
impurity 1 (peak 1) |
2.105 |
0.929 |
-0.032 |
2.0*** |
8.9 x 101 |
4.7 |
impurity 1 (peak 1) |
2.465 |
1.258 |
0.100 |
2.3*** |
2.2 x 102 |
4.2 |
impurity 1 (peak 1) |
3.361 |
2.079 |
0.318 |
3.0*** |
9.2 x 102 |
0.3 |
impurity 1 (peak 1) |
4.230 |
2.875 |
0.459 |
3.4*** |
2.4 x 103 |
1.3 |
impurity 1 (peak 1) |
5.437 |
3.981 |
0.600 |
3.8*** |
6.1 x 103 |
5.7 |
impurity 1 (peak 1) |
6.963 |
5.379 |
0.731 |
4.2*** |
1.5 x 104 |
0.1 |
impurity 1 (peak 1) |
10.290 |
8.427 |
0.926 |
4.7*** |
5.4 x 104 |
0.4 |
impurity 1 (peak 1) |
14.192 |
12.002 |
1.079 |
5.2*** |
1.5 x 105 |
5.9 |
major component (peak 10) |
19.758 |
17.101 |
1.233 |
5.6*** |
4.2 x 105 |
74.7 |
* Mean value of retention times of two chromatograms
** Extrapolated from regression line log k’ = 0.345 * log Pow- 0.704 (r= 0.997, n= 6)
***Interpolated from regression line log k’ = 0.345 * log Pow - 0.704 (r= 0.997, n= 6)
The results of the calculation method and the HPLC method are in agreement. Since the HPLC method is a more accurate method than the calculation method, the result of the HPLC method is reported as the partition coefficent (n-octanol/water), Pow of the test substance.
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.6
- at the temperature of:
- 23 °C
Additional information
The logPow for the test substance was determined to 5.6 at 23 ± 0.5 °C using the HPLC method. In addition, the logPow was calculated using the Rekker method resulting in a logPow of 5.9. Both results are in good agreement.
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