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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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EC number: - | CAS number: -
- 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
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- January 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR, test substance is within applicability domain, information on validation present, the salt was replaced by the acid
Data source
Reference
- Reference Type:
- other: Calculation
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
- Principles of method if other than guideline:
- QSAR estimation based on BCFBAF v 3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
The Arnot-Gobas BCFBAF model, which is also available in EPIWIN, was not used for the determination of the BCF of CaDDNSA because the model instructions indicate it is not recommended for chemicals that appreciably ionize. - GLP compliance:
- no
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
- Details on test material:
- As CaDDNSA is a UVCB, various components will attribute to the overall physical-chemical properties. Therefore a potential representative structure is chosen to be modelled. As the substance is a salt, the concomitant acid has been modelled.
SMILES : CCCCCCCCCCCCc1cc2c(cc1)cc(cc2S(O)(=O)=O)CCCCCCCCCCCC
MOL FOR: C34 H56 O3 S1
MOL WT : 544.88
Test conditions
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: EPIWIN BCFBAF v3.01
- Result based on measured log Pow of: > 8.6 for DDNSA
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- ca. 70.8 dimensionless
- Remarks on result:
- other: QSAR
- Details on results:
- SMILES : CCCCCCCCCCCCc1cc2c(cc1)cc(cc2S(O)(=O)=O)CCCCCCCCCCCC
CHEM :
MOL FOR: C34 H56 O3 S1
MOL WT : 544.88
--------------------------------- BCFBAF v3.01 -------------------------------
Log Kow (estimated) : 11.91
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 8.63 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 1.85 (Ionic; 11 or more -CH2- groups)
Estimated Log BCF = 1.850 (BCF = 70.79 L/kg wet-wt)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The calculated value for the bioaccumulation of the test substance based on a logPow of 8.63 is 70.79
- Executive summary:
The calculated value for the bioaccumulation of the test substance based on a logKow of 8.6 is 70.79. The calculation was performed with BCFBAFWIN v 3.01.
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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