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EC number: 248-983-7 | CAS number: 28348-53-0
- 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:
- QSAR prediction:(Q)SAR method with established scientific validity
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- BCFBAF v3.01 in EPI Suite (v4.1)
- GLP compliance:
- no
- Remarks:
- not applicable
- Radiolabelling:
- no
- Vehicle:
- no
- Test organisms (species):
- other: QSAR model
- Route of exposure:
- other: QSAR model
- Test type:
- other: QSAR model
- Water / sediment media type:
- not specified
- Remarks:
- freshwater
- Hardness:
- QSAR model
- Test temperature:
- QSAR model
- pH:
- QSAR model
- Dissolved oxygen:
- QSAR model
- TOC:
- QSAR model
- Salinity:
- QSAR model
- Nominal and measured concentrations:
- QSAR model
- Reference substance (positive control):
- not required
- Type:
- BCF
- Value:
- 3.16 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: regression based method
- Remarks:
- Conc.in environment / dose:70.79
- Type:
- BAF
- Value:
- 1.05 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas (upper trophic)
- Remarks:
- Conc.in environment / dose:509
- Details on results:
- --------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0807 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.02 (BAF = 1.05 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 0.29
Equation Used to Make BCF estimate:
Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
- Reported statistics:
- Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0807 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.02 (BAF = 1.05 L/kg wet-wt) - Validity criteria fulfilled:
- yes
- Conclusions:
- QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of sodium cumenesulphonate is 3.16 L/kgwwt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.
- Executive summary:
Bioconcentration/bioaccumulation was estimated using QSAR estimation software (EPISUITE v4.1 BCFBAF v3.01), in accordance with REACH Annex XI. The estimated log BCF is 0.50 (BCF = 3.16 L/kg wet-wt) using the regression-based method. The estimated log BAF is 0.02 (BAF = 1.05 L/kg wet-wt) using the Arnot-Gobas upper trophic method.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- other: published data
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 305 B (Bioaccumulation: Semi-static Fish Test)
- GLP compliance:
- no
- Specific details on test material used for the study:
- Test Substance
CAS Number: 827-21-4
Identity: Xylene sulfonic acid, sodium salt
Purity: 99.9% - Radiolabelling:
- yes
- Vehicle:
- no
- Test organisms (species):
- Cyprinus sp.
- Details on test organisms:
- Species: Cyprinus sp. (freshwater fish)
- Route of exposure:
- aqueous
- Test type:
- flow-through
- Water / sediment media type:
- natural water: freshwater
- Total exposure / uptake duration:
- 42 d
- Hardness:
- 160-170 mg/l CAO
- Test temperature:
- 25 deg.C
- pH:
- NR
- Nominal and measured concentrations:
- Fish were exposed to concentrations at 0.5 and 0.05 mg/L under a flow-through system. Fish were exposed for 42 days at 25 degrees C. Test concentrations in water and fish were determined by HPLC analysis.
- Details on estimation of bioconcentration:
- All measured BCF values were lower than the detection limit of HPLC analysis
- Type:
- BCF
- Value:
- < 2.3 dimensionless
- Basis:
- not specified
- Remarks on result:
- other: All measured BCF values were lower than detection limit of HPLC analysis.
- Details on results:
- OECD Guideline Study 305C (bioaccumulation) was carried out and considered to be reliable. A bioconcentration factor (BCF) of <2.3 is reported.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- OECD Guideline Study 305C (bioaccumulation) was carried out and considered to be reliable. A bioconcentration factor (BCF) of <2.3 is reported.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance has a low potential for bioaccumulation based on log Kow <=3
Referenceopen allclose all
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0807 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.02 (BAF = 1.05 L/kg wet-wt)
Description of key information
QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of sodium cumenesulphonate is 3.16 L/kgwwt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.
Fish bioconcentration studies conducted at two exposure concentrations with sodium xylene
sulfonate and sodium toluene sulfonate reported BCF values of <2.3.
These experimental and estimated BCF values suggest that sodium cumenesulphonate has a low potential for bioaccumulation.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.16 L/kg ww
Additional information
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