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EC number: 480-880-4 | CAS number: 608-23-1
- 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:
- 2003-03-10 to 2003-06-23
- 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)
- Version / remarks:
- Adopted March 30, 1989
- Deviations:
- no
- 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:
- 4.1
- Temp.:
- 23 °C
- Remarks on result:
- other: no data on pH - however, as test item is non-ionisable, and a methanol/water mixture was used as mobile phase, pH must have been in the neutral range.
- Details on results:
- The log Pow values calculated individually for each duplicate injection were identical for each peak of the reference substances and the test item.
- Conclusions:
- log Pow (OECD 117): 4.10
- Executive summary:
Log Pow of the test item was determined according to OECD 117 (1989) compliant with GLP.
A preliminary test was conducted to provide an estimation of the run time to be used during the definitive test. This was accomplished by injecting the test substance in the HPLC system and recording the chromatogram for 30 minutes. Thereafter, the solutions were injected in the following sequence: the mixture of reference substances, a blank (acetonitrile diluted 1:10 with the mobile phase), the formamide solution, the test solution (in duplicate), a blank (acetonitrile), the mixture of reference substances (reference substances were injected separately during method validation), and the formamide solution. The run time for all solutions was established at 30 minutes. The analysis of 1-chloro-2,3-dimethylbenzene samples generated one distinct peak, eluting at 4.92 minutes. The log Pow value for the test item, detectable with the chromatographic system used, was calculated as follows:
Peak number: 1
Mean retention time: 4.92
log Pow test item : 4.1
The log Pow values calculated individually for each duplicate injection were identical for each peak of the reference substances and the test item.
Reference
The t0 was determined to be 1.608 minutes, the value of both measurements. The mean values of the retention times, k' values, log k' values, and log Pow values are summarized in the following table:
Substance |
tr1 |
k' |
log k' |
log Pow2 |
Reference Substance |
|
|
|
|
Benzyl alcohol |
2.000 |
0.243781 |
-0.6130 |
0.96 |
Toluene |
3.135 |
0.949627 |
-0.0224 |
3.0 |
p-dichlorobenzene |
3.737 |
1.323694 |
0.1218 |
3.4 |
1,2,4-Trichlorobenzene |
5.065 |
2.149876 |
0.3324 |
4.2 |
Fluoranthene |
6.183 |
2.844838 |
0.4541 |
4.6 |
Bibenzyl |
6.826 |
3.244714 |
0.5112 |
4.8 |
Triphenylamine |
11.24 |
5.984142 |
0.7770 |
5.7 |
2,4-DDT |
15.85 |
8.842973 |
0.9466 |
6.2 |
Test item |
|
|
|
|
Peak 1 |
4.918 |
2.058458 |
0.3135 |
4.1 |
1) Mean value of the retention times of the two reference substance or test substance chromatograms.
2) Reference substance log Pow as determined from regression - values according to the OECD guideline are given in the methods section.
As a result, the analysis of the test iem samples generated one distinct peak, eluting at 4.92 minutes. The log Pow value for the test iem, detectable with the chromatographic system used and reported using the mean of data from duplicate injections, was calculated as follows:
Peak number: 1
Mean retention time: 4.92
log Pow test item : 4.1
The log Pow values calculated individually for each duplicate injection were identical for each peak of the reference substances and the test item.
Description of key information
log Pow (OECD 117): 4.10
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.1
- at the temperature of:
- 23 °C
Additional information
Log Pow of the test item was determined according to OECD 117 (1989) compliant with GLP.
A preliminary test was conducted to provide an estimation of the run time to be used during the definitive test. This was accomplished by injecting the test substance in the HPLC system and recording the chromatogram for 30 minutes. Thereafter, the solutions were injected in the following sequence: the mixture of reference substances, a blank (acetonitrile diluted 1:10 with the mobile phase), the formamide solution, the test solution (in duplicate), a blank (acetonitrile), the mixture of reference substances (reference substances were injected separately during method validation), and the formamide solution. The run time for all solutions was established at 30 minutes. The analysis of 1-chloro-2,3-dimethylbenzene samples generated one distinct peak, eluting at 4.92 minutes. The log Pow value for the test item, detectable with the chromatographic system used, was calculated as follows:
Peak number: 1
Mean retention time: 4.92
log Pow test item : 4.1
The log Pow values calculated individually for each duplicate injection were identical for each peak of the reference substances and the test item.
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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