Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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: 212-842-8 | CAS number: 873-55-2
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite program developed by the USEPA.
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.00) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: sodium benzenesulfinate
- Molecular formula (if other than submission substance): C6H6O2S.Na
- Molecular weight (if other than submission substance): 164.16 g/mol
- Smiles notation (if other than submission substance): c1(ccccc1)S(=O)[O-].[Na+]
- InChI: 1S/C6H6O2S.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for sodium benzenesulfinate is 3.162 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that sodium benzenesulfinate is not expected to bioaccumulate in the food chain.
- Executive summary:
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for sodium benzenesulfinate is 3.162 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that sodium benzenesulfinate is not expected to bioaccumulate in the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : OS(=O)c1ccccc1
CHEM : Benzenesulfinic acid, sodium salt
MOL FOR: C6 H6 O2 S1
MOL WT : 142.17
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.00964 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): -0.05 (BAF = 0.895 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: -1.17
Equation Used to Make BCF estimate:
Log BCF = 0.50
Correction(s): Value
Correction Factors Not Used for Log Kow < 1
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
Description of key information
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for sodium benzenesulfinate is 3.162 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that sodium benzenesulfinate is not expected to bioaccumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
Three results including different predicted data from validated models for bioaccumulation (BCF) endpoint of target chemical Sodium benzenesulfinate (Cas no. 873-55-2) were summarized as follows:
First prediction done using BCFBAF (v3.00) model indicate the estimated bio concentration factor (BCF) for Sodium benzenesulfinate is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that Sodium benzenesulfinate is not expected to bio accumulate in the aquatic environment.
Another validated prediction by ACD (Advanced Chemistry Development)/I-Lab; Algorithm Version: v5.0.0.184 using Bio-concentration Factor (v12.1.0.50374) module; 2017 indicate the bio-concentration Factor over the entire pH scale 1-14 of the test substance Sodium benzenesulfinate estimated to be 1(dimentionless).This value indicates that the test substance Sodium benzenesulfinate found to be non-accumulative in aquatic organisms.
Above both prediction assist by result From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) indicate the bioaccumulation i.e BCF for test substance Sodium benzenesulfinate was estimated to be 4.41 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Sodium benzenesulfinate non-bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the test substance Sodium benzenesulfinate (Cas no. 873-55-2) is expected to be non Bioaccumulative in aquatic environment.
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.