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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 947-251-0 | CAS number: -
- 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:
- Not specified
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Remarks on result:
- not determinable
- Remarks:
- Due to the lack of a specific analytical method capable of quantifying the test material, the determination of the n-octanol/water partition coefficient by OECD 107 was not possible.
- Details on results:
- Due to the lack of a specific analytical method capable of quantifying the test material, the determination of the n-octanol/water partition coefficient by OECD 107 was not possible.
Additionally, due to the inability to detect test material by HPLC-UV, the determination of the n-octanol/water partition coefficient by OECD 117 was not possible. - Conclusions:
- Due to the lack of a specific analytical method capable of quantifying the test material, the determination of the n-octanol/water partition coefficient by OECD 107 was not possible. For this reason, an exemption from OECD 107 testing is requested. Additionally, due to the inability to detect the test material by HPLC-UV, a waiver from OECD 117 is requested.
- Executive summary:
The test material was found to be insoluble in most common organic solvents with the exceptions of CHCl3 and THF. A preliminary UV-vis spectroscopic screening of a solution of the test material in CHCl3 showed a maximum absorbance at 243 nm. Despite this, the test material could not be detected when solutions of the test material were analysed by HPLC, therefore an analytical method based on HPLC-UV could not be developed.
An analytical method based on LCMSMS was also attempted. In the initial Q1 infusion, twelve ions could be observed that were assigned to specific components of the test material. However, only six of these ions were intense enough to optimise the MRMs. When a solution of X-20109 was analysed by LCMSMS, only three of these six ions could be detected. Additionally, these three components were observed to separate on the LC column. Therefore, due to the inability to detect each component of the test material and the precise composition of the test material being unknown, an analytical method based on LCMSMS could not be developed.
Due to the lack of a specific analytical method capable of quantifying the test material, the determination of the n-octanol/water partition coefficient by OECD 107 was not possible. For this reason, an exemption from OECD 107 testing is requested. Additionally, due to the inability to detect the test material by HPLC-UV, a waiver from OECD 117 is requested.
Reference
Description of key information
Due to the lack of a specific analytical method capable of quantifying the test material, the determination of the n-octanol/water partition coefficient by OECD 107 was not possible. For this reason, an exemption from OECD 107 testing is requested. Additionally, due to the inability to detect the test material by HPLC-UV, a waiver from OECD 117 is requested.
Key value for chemical safety assessment
Additional information
The test material was found to be insoluble in most common organic solvents with the exceptions of CHCl3 and THF. A preliminary UV-vis spectroscopic screening of a solution of the test material in CHCl3 showed a maximum absorbance at 243 nm. Despite this, the test material could not be detected when solutions of the test material were analysed by HPLC, therefore an analytical method based on HPLC-UV could not be developed.
An analytical method based on LCMSMS was also attempted. In the initial Q1 infusion, twelve ions could be observed that were assigned to specific components of the test material. However, only six of these ions were intense enough to optimise the MRMs. When a solution of X-20109 was analysed by LCMSMS, only three of these six ions could be detected. Additionally, these three components were observed to separate on the LC column. Therefore, due to the inability to detect each component of the test material and the precise composition of the test material being unknown, an analytical method based on LCMSMS could not be developed.
Due to the lack of a specific analytical method capable of quantifying the test material, the determination of the n-octanol/water partition coefficient by OECD 107 was not possible. For this reason, an exemption from OECD 107 testing is requested. Additionally, due to the inability to detect the test material by HPLC-UV, a waiver from OECD 117 is requested.
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.