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EC number: 810-810-3 | CAS number: 68425-02-5
- 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 16 February to 03 May 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- other: Reference to the validated analytical method used for the quantification of the octanol and water samples.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- bis((7-isopropyl-1,4a-dimethyl-1,2,3,4.4a.5.6.7.8.9.10.10a-dodecahydrophenanthrene-1-carbonyl)oxy)zinc
- EC Number:
- 810-810-3
- Cas Number:
- 68425-02-5
- Molecular formula:
- The substance is a UVCB, of which a major component can be represented by the following: [C20H33O2]2Zn
- IUPAC Name:
- bis((7-isopropyl-1,4a-dimethyl-1,2,3,4.4a.5.6.7.8.9.10.10a-dodecahydrophenanthrene-1-carbonyl)oxy)zinc
- Test material form:
- solid
- Details on test material:
- - Appearance: Brown coloured, brittle solid
- Storage condition of test material: At room temperature
- Chemical name: Zinc modified rosinate, hydrogenated zinc rosinate
- CAS No.: 68425-02-5
Constituent 1
Study design
- Analytical method:
- other: ultra-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.3
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- MAIN STUDY 1
- The analysed concentration of the stock solution was 4.90 g/L; nominal quantity of the substance in each test sample was 9.81 mg. Recoveries: 82% - 104%.
- No test substance was detected in the pretreated phases from the blank test sample.
- The log Pow values were within the criterion range of ± 0.3 log units.
- pH values of 7.4 to 8.1 were measured. These values deviate from the pH of the buffer used (i.e.pH 7). Therefore a second main study was performed.
MAIN STUDY 2
- The analysed concentration of the stock solution was 3.69 g/L, while the nominal concentration was only 1.02 g/L. It is technically not possible to achieve a higher concentration than the nominal concentration. The analysed concentration of the stock solution was, therefore, considered inaccurate. Samples of the stock solution might have been contaminated during sample preparation. Due to this, the nominal concentration was used for the calculation of the recoveries. The nominal quantity of the substance in each test sample was 2.04 mg. Recoveries: 99% - 104%.
- The log Pow values were within a range of ± 0.4 log units which slightly exceeded the criterion of ± 0.3 log units. The results were accepted, as the criterion was only slightly exceeded and the average log Pow of main study 2 was in good agreement with the average log Pow of Main study 1
- A significant peak at the retention time of the test item was detected in the pretreated samples from the blank mixture. The samples from the blank mixture were probably contaminated in course of sample treatment. As the resulting partition coefficient in Main study 2 agreed with the result of Main study 1, where no signal was observed in the blank samples from the blank mixture, this was considered not to have any impact on the integrity of the study.
KEY RESULT
The mean log Pow of Main study 1 and the mean log Pow of Main study 2 were in agreement. The overall mean of both main studies was therefore reported as the log Pow of the substance. The deviation of the pH as observed in Main study 1 seemed to have had no impact on the outcome of the study.
Any other information on results incl. tables
Table: Shake-flask results Main study 1
Ratio |
Analysed concentration |
Pow |
log Pow |
pH |
||
n-octanol |
water |
individual |
mean |
|||
|
|
|
|
|
|
|
1:1 |
1.5 (1) |
0.000060 (1) |
2.5E04 |
2.3E04 |
4.4 |
7.5 |
|
1.5 (1) |
0.0000726 |
2.1E04 |
|
4.3 |
7.5 |
|
|
|
|
|
|
|
1:2 |
2.0 (1) |
0.0000904 |
2.2E04 |
2.2E04 |
4.3 |
7.4 |
|
1.9 (1) |
0.0000869 |
2.2E04 |
|
4.3 |
7.4 |
|
|
|
|
|
|
|
2:1 |
1.3 (1) |
0.000116 |
1.1E04 |
1.1E04 |
4.0 |
8.1 |
|
1.2 (1) |
0.000112 |
1.1E04 |
|
4.0 |
8.1 |
|
|
|
|
|
|
|
Mean |
1.9E04 |
|
4.3 |
|
||
Standard deviation |
6.2E03 |
|
|
|
(1) Estimated value, calculated by extrapolation of the calibration curve.
Table: Shake-flask results Main study 2
Ratio |
Analysed concentration |
Pow |
log Pow |
pH |
||
n-octanol |
water |
individual |
mean |
|||
|
|
|
|
|
|
|
1:1 |
0.339 |
0.0000134 |
2.5E04 |
1.7E04 |
4.4 |
7.0 |
|
0.343 |
0.0000420 |
8.2E03 |
|
3.9 |
7.0 |
|
|
|
|
|
|
|
1:2 |
0.525 |
0.0000246 |
2.1E04 |
1.9E04 |
4.3 |
7.0 |
|
0.529 |
0.0000327 |
1.6E04 |
|
4.2 |
7.0 |
|
|
|
|
|
|
|
2:1 |
0.253 |
0.0000393 |
6.4E03 |
1.6E04 |
3.8 |
7.0 |
|
0.252 |
0.000010 (1) |
2.5E04 |
|
4.4 |
7.0 |
|
|
|
|
|
|
|
Mean |
1.7E04 |
|
4.2 |
|
||
Standard deviation |
8.3E03 |
|
|
|
||
|
|
|
|
|
|
|
(1) Estimated value, calculated by extrapolation of the calibration curve.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the substance at pH 7 and 20°C was determined to be 4.3.
- Executive summary:
The partition coefficient of the substance was determined using the shake-flask method in a GLP study according to EC A.8, OECD 107 and OPPTS 830.7550. Quantitative analysis was performed by UPLC-MS. The log Pow of the substance at pH 7 and 20°C was determined to be 4.3.
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