Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 610-623-5 | CAS number: 511540-64-0
- 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:
- 03.04. - 15.08.06
- 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)
- GLP compliance:
- yes (incl. QA statement)
- 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:
- 7
- Conclusions:
- The partition coefficient n-octanol/water of the test item was determined according to the HPLC method. It was found to be: log Pow = 5.7 at 25 °C.
- 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 HPLCmethod. The n-octanol/water partition coefficient of the test substance was derived from its retention time and the calibration graph. Therefore, the partition coefficient n-octanol/water of the test substance was determined to be 5.7 at 25 °C.
Reference
Calibration and measurement:
To create the regression line, two measurements (each with three injections) were carried out from the reference substance mix and the formamide standard and the corresponding retention times were determined. The respective logarithmic mean values of the capacity factors were then subjected to a regression analysis using the known log Pow. The distribution coefficient of the test substance was determined from the retention times using the associated capacity factors and the constants of the regression equations. The measurement data can be found in the below tables. The log Pow values determined for the two measurements were in the range of +/- 0.1 log units, so that the test result can be classified as valid.
Table 1: Calibration data (1st measurement)
Reference substance | 1st Injection, retention time in min | 2nd Injection, retention time in min | 3rd Injection, retention time in min | mean value retention time in min | k | log k | log Pow |
Acetophenone | 3.02 |
3.04 |
3.00 |
3.020 |
0.3707 |
-0.4310 |
1.7 |
Methylbenzoate |
3.63 |
3.63 |
3.59 |
3.617 |
0.6415 |
-0.1928 |
2.1 |
Phenylbenzoate |
5.69 |
5.64 |
5.54 |
5.623 |
1.5522 |
0.1909 |
3.6 |
Biphenyl |
8.96 |
8.87 |
8.71 |
8.847 |
3.0151 |
0.4793 |
4.0 |
Phenanthrene |
13.94 |
13.73 |
13.51 |
13.727 |
5.2300 |
0.7185 |
4.5 |
Triphenylamin |
19.51 |
18.95 |
18.59 |
19.017 |
7.6309 |
0.8826 |
5.7 |
Substance for t0 determination |
|
|
|
|
|
|
|
Formamide |
2.19 |
2.20 |
2.22 |
2.203 |
|
|
|
Regression equation: log k = a + b * log Pow
Parameter: a = -0.9425
b = 0.3381
r = 0.982
Table 2: log Pow of test item (1st measurement)
Test item | 1st Injection, retention time in min | 2nd Injection, retention time in min | 3rd Injection, retention time in min | mean value retention time in min | k | log k | log Pow |
Art. 276852 | 23.33 |
23.34 |
23.36 |
23.343 |
9.5946 |
0.9820 |
5.69 |
Table 3: Calibration data (2nd measurement
Reference substance | 1st Injection, retention time in min | 2nd Injection, retention time in min | 3rd Injection, retention time in min | mean value retention time in min | k | log k | log Pow |
Acetophenone | 3.00 |
2.98 |
3.01 |
2.997 |
0.3621 |
-0.4411 |
1.7 |
Methylbenzoate |
3.58 |
3.56 |
3.59 |
3.577 |
0.6258 |
-0.2036 |
2.1 |
Phenylbenzoate |
5.48 |
5.48 |
5.52 |
5.493 |
1.4970 |
0.1752 |
3.6 |
Biphenyl |
8.58 |
8.59 |
8.64 |
8.603 |
2.9106 |
0.4640 |
4.0 |
Phenanthrene |
13.25 |
13.29 |
13.36 |
13.300 |
5.0455 |
0.7029 |
4.5 |
Triphenylamin |
18.19 |
18.29 |
18.40 |
18.293 |
7.3152 |
0.8642 |
5.7 |
Substance for t0 determination |
|
|
|
|
|
|
|
Formamide |
2.19 |
2.19 |
2.22 |
2.200 |
|
|
|
Regression equation: log k = a + b * log Pow
Parameter: a = -0.9493
b = 0.3360
r = 0.982
Table 4: log Pow of test item (2nd measurement)
Test item | 1st Injection, retention time in min | 2nd Injection, retention time in min | 3rd Injection, retention time in min | mean value retention time in min | k | log k | log Pow |
Test item | 22.70 |
22.75 |
22.80 |
22.750 |
9.3409 |
0.9704 |
5.71 |
The following final log Pow values of the test item were determined by extrapolation from the measured values:
1st measurement: log Pow = 5.69 , Pow = 4.93E+05
2nd measurement: log Pow = 5.71 , Pow = 5.17E+05
Mean value: log Pow = 5.7 , Pow = 5.05E+05
Description of key 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 HPLCmethod. The n-octanol/water partition coefficient of the test substance was derived from its retention time and the calibration graph. Therefore, the partition coefficient n-octanol/water of the test substance was determined to be 5.7 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.7
- at the temperature of:
- 20 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.