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Diss Factsheets
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EC number: 271-708-7 | CAS number: 68604-99-9
- 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:
- supporting 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:
- The calculation was using the scientific acceptable software program as recommended in Guideline under REACH Regulation (EC) No 1907/2006.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Deviations:
- not applicable
- Principles of method if other than guideline:
- BCFBAF v3.01
- GLP compliance:
- no
- Specific details on test material used for the study:
- CAS Number: 68604-99-9
SMILES : OC(=O)CCCCCCCCC=CCCCCCCCOP(O)(O)=O
CHEM :
MOL FOR: C18 H35 O6 P1
MOL WT : 378.45 - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Key result
- Rate constant:
- overall uptake rate constant (L kg-1 d-1)
- Value:
- 56.23
- Remarks on result:
- other: estimated
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- BCF = 56.23 L/kg wet-wt
- Executive summary:
EPISuite, Model BCFBAF v3.01 estimates fish bioconcentration factor and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels.
The following values were estimated:
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3336 days (HL = 2.156 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.828 (BCF = 673.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.958 (BAF = 908.2)
log Kow used: 6.18 (estimated)
Reference
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3336 days (HL = 2.156 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.828 (BCF = 673.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.958 (BAF = 908.2)
log Kow used: 6.18 (estimated)
Description of key information
The BCF factor was estimated following the REACH Guidance on QSARs R.6. The BCFBAF v3.01 (EPIsuite) estimated that BCF= BCF = 56.23 L/kg wet-wt.
Key value for chemical safety assessment
- BCF (aquatic species):
- 56.23 L/kg ww
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.