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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 682-872-8 | CAS number: 957787-76-7
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Followed guideline and GLP requirements.
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Type:
- Pow
- Partition coefficient:
- >= 125
- Temp.:
- 22 °C
- pH:
- ca. 9
- Remarks on result:
- other: Pow standard deviation 14.7
- Type:
- log Pow
- Partition coefficient:
- ca. 2.1
- Temp.:
- 22 °C
- pH:
- ca. 9
- Conclusions:
- In a shake-flask n-octanol partition coefficient test, test article mean Pow was 125 (SD 14.7) with log Pow 2.10
- Executive summary:
A partition coefficient value of 125 at 22.0 degrees C +/- 0.5, and log10Pow 2.10 was determined for the test article using the shake-flask method (Method A8 Partition Coefficient of Commission Regulation (EC) No. 440/2008 of 30 May 2008 and Method 830.7550 of the OPPTS Guideline).
In conducting the test, the n-octanol saturated water was buffered to pH 9 to ensure the test material was partitioned in the least ionized form possible within the environmentally relevant pH range of 5 to 9. The dissociation constants of the two amine groups were estimated to be 10.91 +/- 0.29 and 11.56 +/- 0.29 (ACD/l-lab Web Service, ACD/pKa 8.03). Due to a pH of at least 13 being required to give the un-ionized molecule, it was considered impractical to perform the test at such a high pH as well as exceeding the environmentally relevant range.
Substances having a and log10Pow2.10 of greater than 3 are regarded as having the potential to bioaccumulate in the environment, but as the overall test result was log10Pow2.10, this suggests that the test article is not a bioaccumulation risk. In addition, the partition coefficient is anticipated to decrease further at neutral and weakly acidic pH’s as the degree of ionization will increase. Although the preliminary estimate of partition coefficient based on visual solubilities resulted in a log value greater than 3, this value was believed to be artificially high due to the miscibility of the test material in n-octanol. As the method guidelines limit the maximum stock concentration at 0.01 M, such a value could not be achieved for a definitive test with the constraints of the guidelines.
Reference
Total Weights and Analyzed Concentrations of Respective Phases
Sample number |
Total Weight (mg)* |
Organic Phase Analyzed Concentration (x 103mg/l) |
Organic Phase Weight (mg)# |
Aqueous Phase Analyzed Concentration (mg/l) |
Aqueous Phase Weight (mg)# |
pH |
1 |
176 |
2.48 |
174 |
21.0 |
1.47 |
9.1 |
2 |
150 |
2.47 |
148 |
21.0 |
1.26 |
9.1 |
3 |
105 |
2.47 |
104 |
23.6 |
1.99 |
9.1 |
4 |
113 |
2.50 |
112 |
18.2 |
1.64 |
9.1 |
5 |
75 |
2.39 |
71.8 |
16.5 |
1.98 |
9.1 |
6 |
55 |
2.43 |
53.4 |
19.1 |
1.68 |
9.1 |
pH of pH 9 buffered n-octanol saturated water 9.0
Temperature 22.0 +/- 0.5 degrees C
* From analysis of stock solution # From analysis of respective phase
Partition coefficient determined for each sample
Sample Number |
Organic/Aqueous Volume Ratio |
Partition coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1.1 |
118 |
2.07 |
118 |
2 |
1.1 |
117 |
2.07 |
118 |
3 |
1.2 |
105 |
2.02 |
121 |
4 |
1.2 |
137 |
2.14 |
121 |
5 |
1.4 |
145 |
2.16 |
136 |
6 |
1.4 |
127 |
2.10 |
136 |
Mean Pow= 1.25 Standard Deviation = 14.7 Log10Pow = 2.10
Description of key information
The partition coefficient of the test article was determined by using the shake-flask method (Method A8 Partition Coefficient of Commission Regulation (EC) No. 440/2008 of 30 May 2008 and Method 830.7550 of the OPPTS Guideline). The partition coefficient value (Kow) of the test article was estimated at 125 at 22.0°C =/-0.5 (LogKow = 2.10). The current value suggests that the test article do not display any bioaccumulation risk. In addition, the partition coefficient is anticipated to decrease further at neutral and weakly acidic pH’s as the degree of ionization will increase.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.1
- at the temperature of:
- 22 °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.