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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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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 limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3 with logKow as the primary descriptor.
- 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 - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 105.253 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The median Effective concentration (EC50) value for sodium benzenesulfinate on Pseudokirchneriella subcapitata in a 72 hour study was estimated to be 105.25 mg/L on the basis of effects on growth rate.
- Executive summary:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance sodium benzenesulfinate (CAS no. 873 -55 -2). EC50 value was estimated to be 105.25 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance sodium benzenesulfinate is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and "h" )
and ("i"
and (
not "j")
)
)
and "k" )
and ("l"
and (
not "m")
)
)
and ("n"
and "o" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl OR Overlapping groups OR
Sulfinic acid by Organic Functional groups (nested) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl OR Overlapping groups OR
Sulfinic acid by Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] OR
Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or
=C<] OR Suflur {v+4} or {v+6} by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Anion OR Aromatic compound OR
Cation OR Sulfinic acid derivative by Organic functional groups, Norbert
Haider (checkmol) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Michael Addition OR Michael
Addition >> Polarised Alkenes OR Michael Addition >> Polarised Alkenes
>> Polarised Alkene - alkenyl pyridines, pyrazines, pyrimidines or
triazines by Protein binding by OASIS v1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as alpha,beta-unsaturated carbonyls
(Genotox) OR Metals, oxidative stress (Nongenotox) OR Primary aromatic
amine,hydroxyl amine and its derived esters (Genotox) OR Structural
alert for genotoxic carcinogenicity OR Structural alert for nongenotoxic
carcinogenicity OR Structural alerts for both genotoxic and nongenotoxic
carcinogenicity by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aluminum Compounds OR
Lanthanides or Rare Earth Metals OR Nickel Compounds OR Soluble
complexes of Zinc OR Vinyl Sulfones OR Zirconium Compounds by US-EPA New
Chemical Categories
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -5.85
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.0859
Description of key information
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance sodium benzenesulfinate (CAS no. 873 -55 -2). EC50 value was estimated to be 105.25 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance sodium benzenesulfinate is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 105.25 mg/L
Additional information
Various predicted data for the target chemical sodium benzenesulfinate(CAS No. 873-55-2) and various weight of evidence study for its read across substance were reviewed to summarize the following information:
Short term toxicity on aquatic algae and cyanobacteria of target chemical sodium benzenesulfinate(CAS No. 873-55-2) is predicted using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances (2017). EC50 value was estimated to be 105.25 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance sodium benzenesulfinate is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
In a weight of evidence study from authoritative database (ECOTOX, 2017) of the read across chemical Benzenesulphonic acid (CAS no. 98 -11 -3),short term toxicity to Navicula seminulum (Pennate diatom) study was carried out for 96 hrs. The study was based on the effects of the read across compound Benzenesulphonic acid on Navicula seminulum in a static fresh water system at a temperature of 28°C and hardness of 77 mg/l as CaCO3 respectively. Based on effect on population of the test organism Navicula seminulum, the 96 hr EC50 value was determined to be 19500 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance Benzenesulphonic acid can be considered as non-toxic to aquatic organisms and thus can be considered to be not classified as per the CLP classification criteria.
Another short term toxicity to Selenastrum capricornutum (green algae) study was carried out for 72 hrs (HPVIS, 2016). The study was performed according to OECD Guideline 201 (Alga, Growth Inhibition Test) and was based on the effects of the read across compound Benzenesulphonic acid (CAS no. 98 -11 -3) on Selenastrum capricornutum in a static fresh water system under a continuous illumination with a light intensity within the range of 73 to 101 uE/m2/s, at a temperature of 22.5 - 23°C, pH of 8.3 ± 0.2 and hardness of 24 mg/l as CaCO3 respectively. Pretreatment was given to the test organism for 3 days under test conditions. Test chemical concentration used for the study was 0, 4.6, 10, 22, 46, 100 and 220 mg/L (nominal concentration) and 0 (not detected), 4.3, 10.1, 21.9, 44.8, 101, 224 and 233 mg/l (measured concentration), respectively. A stock solution of 220 mg/L was prepared in test medium, applying 56 minutes of magnetic stirring. Lower test concentrations were prepared by subsequent dilutions of the stock in test medium. Analytical determinations were carried out using HPLC (RP, UV detection at 263 nm). Potassium dichromate was used as a reference substance in the study. All tests were performed in triplicates except the blank control was performed in 6 replicates. Inhibition of cell growth and reduction of growth rate was measured at 0 hr and 72 hr. Based on effect on cell growth inhibition and growth rate reduction of the test organism Selenastrum capricornutum, the 72 hr NOEC value was determined to be 46 mg/l and on the basis of effect on cell growth inhibition and growth rate reduction, the 72 hr EC50 value was determined to be 70 and 73 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance Benzenesulphonic acid can be considered as toxic to aquatic organisms. Since the chemical is readily biodegradable in nature, chemical Benzenesulphonic acid can be considered as non-toxic to aquatic organisms and thus can be considered to be not classified as per the CLP classification criteria.
Thus, based on the overall reported results for target chemicalsodium benzenesulfinate(OECD QSAR toolbox version 3.3, 2017) and for its read across substance (from authoritative database ECOTOX, 2017 and secondary source HPVIS, 2016), it can be concluded that the test substancesodium benzenesulfinatecan be considered asnon-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
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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