Registration Dossier
Registration Dossier
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: 201-222-2 | CAS number: 79-74-3
- 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:
- other: The individual estimation program BCFBAF and/or its underlying predictive methods and equations have been described in numerous journal articles in peer-reviewed technical journals.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The BCFBAF Program is an update and expansion of the previous BCFWIN Program that was part of the EPI Suite version 3.20. The BCFBAF program estimates BCF of an organic compound using the compound's log octanol-water partition coefficient (Kow). The original estimation methodology used by the original BCFWIN program is described in a document prepared for the U.S. Environmental Protection Agency (Meylan et al., 1997). The BCFBAF Program updates the BCF estimation methodology of the BCFWIN program by using an updated and better evaluated BCF database for selecting training and validation datasets. The exact same regression methodology used to derive the original BCFWIN method was used to derive the BCFBAF method for estimating BCF.
- GLP compliance:
- not specified
- Radiolabelling:
- not specified
- Details on sampling:
- no data
- Vehicle:
- not specified
- Details on preparation of test solutions, spiked fish food or sediment:
- no data
- Test organisms (species):
- other: no data
- Details on test organisms:
- no data
- Route of exposure:
- other: no data
- Test type:
- not specified
- Water / sediment media type:
- not specified
- Hardness:
- no data
- Test temperature:
- no data
- pH:
- no data
- Dissolved oxygen:
- no data
- TOC:
- no data
- Salinity:
- no data
- Details on test conditions:
- no data
- Nominal and measured concentrations:
- no data
- Reference substance (positive control):
- not specified
- Details on estimation of bioconcentration:
- The BCFBAF method classifies a compound as either ionic or non-ionic. Ionic compounds include carboxylic acids, sulfonic acids and salts of sulfonic acids, and charged nitrogen compounds (nitrogen with a +5 valence such as quaternary ammonium compounds). All other compounds are classified as non-ionic.
Non-ionic compounds are predicted by the following relationships:
log BCF = 0.6598 log Kow - 0.333 + Sum F(i) (log Kow 1.0 to 7.0)
log BCF = -0.49 log Kow + 7.554 + Sum F(i) (log Kow > 7.0)
log BCF = 0.50 (log Kow < 1.0) (where Sum F(i) is the summation of structural correction factors)
Log Kow used by BCF estimates: 3.3 (experimental value). - Key result
- Type:
- BCF
- Value:
- 645.6 L/kg
- Basis:
- other: wet weight
- Calculation basis:
- other: BCFBAF equation
- Remarks on result:
- other: Conc.in environment / dose:no data
- Details on kinetic parameters:
- not applicable
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The BCFBAF program estimated an aquatic BCF of 645.6 L/kg wwt based on an experimentally derived logKow = 5.1
Reference
Description of key information
The key value for bioaccumulation is derived via Log Kow-based estimate using the BCFBAF module of EpiSuite.
Key value for chemical safety assessment
- BCF (aquatic species):
- 645.6 L/kg ww
Additional information
Due to the lack of data on bioaccumulation, the BCFBAF program estimated an aquatic BCF of 645.6 L/kg wwt based on an experimentally derived logKow = 5.1
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.
