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Diss Factsheets
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EC number: 422-930-1 | CAS number: 780759-89-9 JAUNE TZ 4210
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 08 February 1996 to 14 February 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation
- GLP compliance:
- no
- Specific details on test material used for the study:
- Name: FAT 40549/A
Batch No: TV 1
Colour: yellow-brown
Aggregate State at room temp: Solid
Stability in Solvent: in water: 48 hours
Stability at storage conditions: Stable
Molecular Weight: 1138 g/mol (free acid)
Analysis: HPLC
Storage: At room temperature
Expiration Date : January 01, 2001 - Dissociating properties:
- yes
- No.:
- #1
- pKa:
- -6
- Remarks on result:
- other: Ar-SO3H
- No.:
- #2
- pKa:
- -5.8
- Remarks on result:
- other: AR-SO3H
- No.:
- #3
- pKa:
- -5.1
- Remarks on result:
- other: AR-SO3H
- No.:
- #4
- pKa:
- -3.3
- Remarks on result:
- other: AR-SO3H
- No.:
- #5
- pKa:
- -0.5
- Remarks on result:
- other: R-O-SO3H
- No.:
- #6
- pKa:
- 6.9
- Remarks on result:
- other: R-CONH2
- No.:
- #7
- pKa:
- 16.8
- Remarks on result:
- other: AR-NHCO-R
- Conclusions:
- The acid dissociation constant of FAT 40945/A was determined to be in the range from pKa -6.0 to 16.8.
- Executive summary:
The molecular structure of the free acid of FAT 40549/A was used for the estimation of the dissociation behaviour. 7 acidic protons (reaction centers) were found in this molecular structure. The order of the reaction center in which the protons are lost was defined to make an acceptable prediction.
The pKa-values predicted for FAT 40549/A show that the reaction center no. 1 to 5 will be completely dissociated. The pKa-values of the reaction center no. 6 and 7 were estimated to be in the range from pKa 6.9 to pKa 16.8, which is of practical interest for the environment. Thus, FAT 40549 will be completely dissociated at environmentally relevant pH conditions.
In conclusion, the acid dissociation constants of FAT 40549/A was evaluated to be in the range from pKa -6.0 to pKa 16.8. Thereby it can be stated that the pKa-values < 3 show no relevant effects on the environment.
Reference
The pKa values predicted for FAT 40549/A show that the reaction center No. 1 to 5 will be completely dissociated. The pKa values for No. 6 and 7 were estimated to be in the range from 6.9 to 16.8, which is of practical interest for the environment.
Description of key information
The acid dissociation constant of FAT 40549/A was determined to be between -6.0 to 16.8
Key value for chemical safety assessment
- pKa at 20°C:
- 16.8
Additional information
The molecular structure of the free acid of FAT 40549/A was used for the estimation of the dissociation behaviour. 7 acidic protons (reaction centers) were found in this molecular structure. The order of the reaction center in which the protons are lost was defined to make an acceptable prediction.
The pKa-values predicted for FAT 40549/A show that the reaction center no. 1 to 5 will be completely dissociated. The pKa-values of the reaction center no. 6 and 7 were estimated to be in the range from pKa 6.9 to pKa 16.8, which is of practical interest for the environment. Thus, FAT 40549 will be completely dissociated at environmentally relevant pH conditions.
In conclusion, the acid dissociation constants of FAT 40549/A was evaluated to be in the range from pKa -6.0 to pKa 16.8. Thereby it can be stated that the pKa-values < 3 show no relevant effects on the environment.
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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