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EC number: 204-889-8 | CAS number: 128-49-4
- 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
- Study period:
- May 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- Data has been derived using a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- 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.
Training Dataset Included:
466 Non-Ionic Compounds
61 Ionic Compounds (carboxylic acids, sulfonic acids, quats)
Since docusate calcium is an ionic compound, the BCF prediction was calculated in accordance with the following criteria:
log BCF = 0.50 (log Kow < 5.0)
log BCF = 1.00 (log Kow 5.0 to 6.0)
log BCF = 1.75 (log Kow 6.0 to 8.0)
log BCF = 1.00 (log Kow 8.0 to 9.0)
log BCF = 0.50 (log Kow > 9.0)
The log Kow of docusate calcium is predicted to be 8.9 in accordance with KOWWIN v1.68 - GLP compliance:
- no
- Specific details on test material used for the study:
- CAS number 128-49-4 was used as input to the model to derive the predicted BCF value
- Type:
- BCF
- Value:
- 56.23 L/kg
- Basis:
- whole body w.w.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The BCFBAF v3.01 QSAR model has been used to estimate a BCF value for docusate calcium. Since the compound is an ionic salt with a predicted log Kow value of 7.73, the model estimates this substance will have a log BCF value of 1.75 (BCF 56.23 L/Kg wet-wt).
- Executive summary:
In the absence of experimental fish BCF data, the BCFBAF v3.01 QSAR model has been used to estimate a BCF value for docusate calcium. Since the compound is an ionic salt with a predicted log Kow value of 7.73, the model estimates this substance will have a log BCF value of 1.75 (BCF 56.23 L/Kg wet-wt).
Reference
Description of key information
Based on the predicted log Kow alone, docusate calcium would be expected to have a high potential for bioaccumulation. However, the substance will be ionised at environmentally relevant pH levels which will limit it's capacity to cross biological membranes and bioaccumulate in aquatic organisms. Furthermore, the substance is expected to be readily biodegradable based on read-across to docusate sodium. The fact the substance is capable of being metabolised by microorganisms suggests that it would also be susceptable to significant biotransformation in higher trophic level aquatic species like fish and invertebrates.
In the absence of experimental fish BCF data, the BCFBAF v3.01 QSAR model has been used to estimate a BCF value for docusate calcium. Since the compound is an ionic salt with a predicted log Kow value of 7.73, the model estimates this substance will have a log BCF value of 1.75 (BCF 56.23 L/Kg wet-wt).
It is concluded that the bioaccumulation potential of docusate calcium is low.
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.
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