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EC number: 429-580-7 | 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
- Study period:
- 2006-01-16 to 2006-01-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 1992
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 5.7
- Temp.:
- 25 °C
- pH:
- 6.72
- Details on results:
- Using the determined linear parameters, the following n-octanol/water partition coefficient was obtained for the test item by interpolation:
1. determination: log Pow = 12.17 Pow = 1.47E+12
2. determination: logPow = 12.12 Pow= 1.32E+12
Mean value: log Pow= 12.2 Pow= 1.40E+12
Triphenylamine (log Pow 5.7) was used as the reference substance with the highest log Pow. As the calculated value for the test item was greater, the result is
log Pow = > 5.7 Pow= > 5.0E+05 - Conclusions:
- The logPow of the test item at 25 °C was determined to be above 5.7.
- Executive summary:
A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. After equilibration of the HPLC system, the calibration mixture and the test item were measured twice. Retention times tR were determined and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. Triphenylamine (log Pow 5.7) was used as the reference substance with the highest log Pow and the logPow of the test item was estimated to be above 5.7. As the calculated value for the test item was greater than the highest calibration standard, the log Pow was out of the calibration range. Thus, the logPow was determined to be above 5.7 at 25 °C.
Reference
1. measurement
Reference substance |
1. Inj.tR |
2. Inj. tR |
3. Inj. tR |
Mean tR |
k |
Log k |
log Pow |
Acetophenon |
1.45 |
1.44 |
1.45 |
1.447 |
0.1989 |
-0.7014 |
1.7 |
Methylbenzoat |
1.57 |
1.56 |
1.57 |
1.567 |
0.2983 |
-0.5253 |
2.1 |
Phenylbenzoat |
1.88 |
1.87 |
1.88 |
1.877 |
0.5552 |
-0.2555 |
3.6 |
Biphenyl |
2.28 |
2.28 |
2.28 |
2.280 |
0.8895 |
-0.0509 |
4.0 |
Phenanthren |
2.87 |
2.86 |
2.86 |
2.863 |
1.3729 |
0.1376 |
4.5 |
Tri phenyl am in |
3.55 |
3.54 |
3.55 |
3.547 |
1.9392 |
0.2876 |
5.7 |
Fomiamid |
1.21 |
1.20 |
1.21 |
1.207 |
|
|
|
Test item |
114.03 |
114.10 |
114.23 |
114.120 |
93.5746 |
1.9712 |
12.17 |
log k = a +
b * log Pow
Parameter:
a = -1.0904
b = 0.2516
r = 0.985
2. measurement
Reference substance |
1. Inj. tR |
2.Inj.tR |
3. Inj. tR |
mean tR |
k |
log k |
log Pow |
Acetophenon |
1.45 |
1.44 |
1.44 |
1.443 |
0.1961 |
-0.7075 |
1.7 |
Methylbenzoat |
1.57 |
1.56 |
1.56 |
1.563 |
0.2956 |
-0.5293 |
2.1 |
Phenylbenzoat |
1.88 |
1.87 |
1.87 |
1.873 |
0.5525 |
-0.2577 |
3.6 |
Biphenyl |
2.29 |
2.28 |
2.28 |
2.283 |
0.8923 |
-0.0495 |
4.0 |
Phenanthren |
2.87 |
2.86 |
2.86 |
2.863 |
1.3729 |
0.1376 |
4.5 |
Triphenylamin |
3.55 |
3.55 |
3.55 |
3.550 |
1.9420 |
0.2882 |
5.7 |
Formamid |
1.21 |
1.21 |
1.20 |
1.207 |
|
|
|
Test item |
114.25 |
114.27 |
114.39 |
114.303 |
93.7265 |
1.9719 |
12.12 |
log k = a +
b * log Pow
Parameter:
a = -1.0984
b = 0.2533
r = 0.985
Description of key information
The logPow of the test item at 25 °C was determined to be above 5.7.
Key value for chemical safety assessment
Additional information
A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. After equilibration of the HPLC system, the calibration mixture and the test item were measured twice. Retention times tR were determined and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. Triphenylamine (log Pow 5.7) was used as the reference substance with the highest log Pow and the log Pow of the test item was estimated to be above 5.7. As the calculated value for the test item was greater than the highest calibration standard, the log Pow was out of the calibration range. Thus, the logPow was determined to be above 5.7 at 25 °C (reference 4.7-1).
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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