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Diss Factsheets
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EC number: 421-450-8 | CAS number: 154702-15-5
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Estimation of bioaccumulation in fish using EPIsuit BCFBAF v3.02
- Guideline:
- other: REACH guideline on QSAR(s) R.6
- Principles of method if other than guideline:
- - Meylan W, Howard PH, Aronson D, Printup H and Gouchie S. 1997. "Improved Method for Estimating Bioconcentration Factor (BCF) from Octanol-Water Partition Coefficient", SRC TR-97-006 (2nd Update), July 22, 1997; prepared for: Robert S. Boethling, EPA-OPPT, Washington, DC; Contract No. 68-D5-0012; prepared by: Syracuse Research Corp., Environmental Science Center, 6225 Running Ridge Road, North Syracuse, NY 13212.
- Meylan W, Howard PH, Boethling RS, Aronson D, Printup H and Gouchie S. 1999. Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient. Environmental Toxicology and Chemistry 18(4): 664-672 (1999). - GLP compliance:
- no
- Remarks:
- Not applicable
- Key result
- Type:
- BCF
- Value:
- 3.12 L/kg
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The bioconcentration factor in fish was estimated to be 3.12 L/kg wwt using the BCFBAF model in EPISuite v.411.
- Executive summary:
The bioconcentration factor in fish was estimated using the BCFBAF model in EPISuite v.411. SMILES of the substance and the experimental log Kow of 4.12 were used as input for the model. The bioconcentration factor was estimated to be 3.12 L/kg wwt.
Reference
BCF (Bioconcentration Factor):
=============================
Log Kow (estimated) : 14.03
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 4.12 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
Aromatic sym-triazine ring -0.517
Alkyl chains (8+ -CH2- groups) -1.374
Estimated Log BCF = 0.494 (BCF = 3.12 L/kg wet-wt)
Description of key information
BCF calculated by the BCFBAF program in EPI Suite using SMILES and the experimental log Kow value of 4.12.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.12 L/kg ww
Additional information
The results of a QSAR are reliable and used as key information for this endpoint (Reliability 2). The bioconcentration factor in fish was estimated using the BCFBAF model in EPISuite v.411. The SMILES of the substance and experimental log Kow of 4.12 were used as input for the model.
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.