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Diss Factsheets
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EC number: 284-698-4 | CAS number: 84962-05-0
- 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
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Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: This study was conducted in a facility operating to Good Laboratory Practice (GLP) within the national GLP monitoring programme. However, no experimental testing was carried out.
- Principles of method if other than guideline:
- Dissociation constant was estimated using QSAR
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Identification: FAT #: 93580/A
Description: Extremely pale yellow waxy solid
Batch: 0022357000
Purity: 94.3%
Expiry / Retest Date: 15 December 2015
Storage Conditions: Room temperature in the dark - Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 8.76
- Temp.:
- 20 °C
- Remarks on result:
- other: amine functional groups
- No.:
- #2
- pKa:
- 10.55
- Temp.:
- 20 °C
- Remarks on result:
- other: Amine functional groups
- No.:
- #3
- pKa:
- 4.79
- Temp.:
- 20 °C
- Remarks on result:
- other: Carboxylic groups
- Conclusions:
- Using the software, the dissociation constants of the test item were estimated to be 8.76 ± 0.19 and 10.55 ± 0.60 for the amine functional groups
and 4.79 ± 0.10 for the carboxylic acid functional group. The estimated dissociation constants for the amide functional groups (pKa’s greater than 14 and less than 0) were considered to be environmentally irrelevant. - Executive summary:
The purpose of this study was to evaluate the dissociation constants of the test item in water.
Due to the complex nature and low solubility of FAT #: 93580/A in water, it was considered that determination of the dissociation constants in water according to Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981 was not feasible.
Therefore, the dissociation constants in water of the main constituent (ten components) of the test item have been estimated using the specialist estimation software, I-Lab 2.0, Algorithm Version: v12.1.0.50374, provided by Advanced Chemistry Development, Inc., (ACD), Toronto, Canada.
The test item would be expected to dissociate in aqueous solution and thus the structures for the parent organic amines and carboxylic acid functional groups have been used for the purpose of estimating the dissociation constants of the test item.
Using the software, the dissociation constants of the test item were estimated to be 8.76 ± 0.19 and 10.55 ± 0.60 for the amine functional groups and 4.79 ± 0.10 for the carboxylic acid functional group.
Reference
None
Description of key information
Due to the complex nature and low solubility of FAT #: 93580/A in water, it was considered that determination of the dissociation constants in water according to Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981 was not feasible. Therefore, the dissociation constants in water of the main constituent (ten components) of the test item has been estimated using the specialist estimation software, I-Lab 2.0, Algorithm Version: v12.1.0.50374, provided by Advanced Chemistry Development, Inc., (ACD), Toronto, Canada.The test item would be expected to dissociate in aqueous solution and thus the structures for the parent organic amines and carboxylic acid functional groups have been used for the purpose of estimating the dissociation constants of the test item. Using the software, the dissociation constants of the test item were estimated to be 8.76 ± 0.19 and 10.55 ± 0.60 for the amine functional groups and 4.79 ± 0.10 for the carboxylic acid functional group.
Key value for chemical safety assessment
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.
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