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EC number: 835-273-2 | CAS number: 852056-62-3
- 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:
- September 11, 2018
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EU method A.24. Partition coefficient n-octanol/water
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- The sample was tested as received. No further preliminary treatment such as drying or milling was performed.
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not determined
- Details on results:
- The program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was 10.34.
Therefore according to the guidelines the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC method. - Conclusions:
- The partition coefficient n-octanol/water of the test item was determined according to the HPLC method. It was found to be >6.5 (highest standard). The log Pow was estimated via extrapolation to be log Pow=7.4.
- Executive summary:
The partition coefficient n-octanol/water of the test item was determined according to OECD Guideline 117 and EU Method A.24 (reference 4.7 -1). Based on the preliminary result obtained from EPI Suite, the log Pow value was determined by using the HPLC Method. The test item, the dead time marker and the calibration substances each were dissolved in methanol and diluted from 0.1 mL to 1 mL with methanol / demineralized water 90:10 % (v/v). All samples were injected as single solutions twice. Retention times tR were measured 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. The mean partition coefficient of the test item was determined to be above logPow = 6.5 (highest standard).The log Pow was estimated via extrapolation to be log Pow=7.4.
Reference
Table 1: Calibration data 1st injection
Calibration substance |
tR / min |
k |
log k |
log Pow |
2-Butanone |
1.34 |
0.09 |
-1.07 |
0.3 |
Acetanilide |
1.35 |
0.09 |
-1.03 |
1.0 |
Cinnamyl alcohol |
1.41 |
0.15 |
-0.83 |
1.9 |
2,6-Dichlorobenzonitrile |
1.54 |
0.25 |
-0.60 |
2.6 |
Allyl phenyl ether |
1.76 |
0.43 |
-0.36 |
2.9 |
Benzophenone |
1.68 |
0.37 |
-0.43 |
3.2 |
Cumene |
2.25 |
0.83 |
-0.08 |
3.7 |
Diphenyl ether |
2.10 |
0.71 |
-0.15 |
4.2 |
Fluoranthene |
3.04 |
1.47 |
0.17 |
5.1 |
4,4'-DDT |
3.64 |
1.96 |
0.29 |
6.5 |
logPow =a + b- logk
Parameters: a = 4.705 b = 3.815 r2 = 0.9510
log Pow of the test item - 1st injection
|
tR / min |
k |
log k |
log Pow |
Test item |
7.35 |
4.97 |
0.7 |
> 6.5* |
*above
the highest log Povv value of calibration substances (4,4-DDT)
**via extrapolation
Table 2: Calibration data 2nd injection
Calibration substance |
tR / min |
k |
log k |
log Pow |
2-Butanone |
1.34 |
0.09 |
-1.05 |
0.3 |
Acetanilide |
1.35 |
0.09 |
-1.01 |
1.0 |
Cinnamyl alcohol |
1.42 |
0.15 |
-0.82 |
1.9 |
2,6-Dichlorobenzonitrile |
1.54 |
0.25 |
-0.59 |
2.6 |
Allyl phenyl ether |
1.77 |
0.44 |
-0.36 |
2.9 |
Benzophenone |
1.69 |
0.37 |
-0.43 |
3.2 |
Cumene |
2.26 |
0.84 |
-0.08 |
3.7 |
Diphenyl ether |
2.11 |
0.71 |
-0.15 |
4.2 |
Fluoranthene |
3.05 |
1.47 |
0.17 |
5.1 |
4,4'-DDT |
3.67 |
1.98 |
0.30 |
6.5 |
Parameters: a = 4.691 b = 3.846 r2 = 0.98510
Table 3: log Pow of the test item - 2nd injection
|
tR / min |
k |
log k |
log Pow |
Test item |
7.30 |
4.93 |
0.69 |
> 6.5* |
*above
the highest log Povv value of calibration substances (4,4-DDT)
**via extrapolation
The partition coefficient n-octanol/water of the test item was determined according to the HPLC method.
It was found to be:
log Pow > 6.5(*)
log Pow =7.4 (**)
(*) above the highest log Pow value of calibration substances (4,4'-DDT)
(**) via extrapolation
Description of key information
The partition coefficient n-octanol/water of the test item was determined according to the HPLC method. It was found to be >6.5 (highest standard). The log Pow was estimated via extrapolation to be log Pow=7.4.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.4
Additional information
The partition coefficient n-octanol/water of the test item was determined according to OECD Guideline 117 and EU Method A.24 (reference 4.7 -1). Based on the preliminary result obtained from EPI Suite, the log Pow value was determined by using the HPLC Method. The test item, the dead time marker and the calibration substances each were dissolved in methanol and diluted from 0.1 mL to 1 mL with methanol / demineralized water 90:10 % (v/v). All samples were injected as single solutions twice. Retention times tR were measured 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. The mean partition coefficient of the test item was determined to be above logPow = 6.5 (highest standard). The log Pow was estimated via extrapolation to be log Pow=7.4.
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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