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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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: sodium benzenesulfinate
- Molecular formula: C6H6O2SNa
- Molecular weight: 164.16 g/mol
- Smiles notation: c1(ccccc1)S(=O)[O-].[Na+]
- InChl : 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 - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- 171 mg CaCO3/L
- Test temperature:
- 21 °C
- pH:
- 7.9 - 8.0
- Dissolved oxygen:
- 7.9 - 8.3 mg O2/L
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 130.5 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The short term toxicity on aquatic invertebrates was predicted for sodium benzenesulfinate (873-55-2). EC50 value was estimated to be 130.5 mg/l for Daphnia magna for 48 hrs duration. Based on the value, 3H, sodium benzenesulfinate (873-55-2) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
- 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 invertebrates was predicted for sodium benzenesulfinate (873-55-2). EC50 value was estimated to be 130.5 mg/l for Daphnia magna for 48 hrs duration. Based on the value,sodium benzenesulfinate (873-55-2) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
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 "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and "j" )
)
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 Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 16 - Oxygen O AND
Group 16 - Sulfur S by Chemical elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group 3 - Lanthanoids OR Group
11 - Trans.Metals Cu,Ag,Au OR Group 12 - Trans.Metals Zn,Cd,Hg OR Group
13 - Metalloids B OR Group 13 - Metals Al,Ga,In,Tl OR Group 14 -
Metalloids Si,Ge OR Group 14 - Metals Sn,Pb OR Group 15 - Metals Bi OR
Group 15 - Nitrogen N OR Group 15 - Phosphorus P OR Group 16 - Selennm
Se OR Group 17 - Halogens Br OR Group 17 - Halogens Cl OR Group 17 -
Halogens F OR Group 17 - Halogens F,Cl,Br,I,At OR Group 17 - Halogens I
OR Group 2 - Alkaline Earth Be,Mg,Ca,Sr,Ba,Ra OR Group 3 - Trans.Metals
Sc,Y OR Group 4 - Trans.Metals Ti,Zr,Hf OR Group 5 - Trans.Metals
V,Nb,Ta OR Group 6 - Trans.Metals Cr,Mo,W OR Group 7 - Trans.Metals
Mn,Tc,Re OR Group 8 - Trans.Metals Fe,Ru,Os OR Group 9 - Trans.Metals
Co,Rh,Ir by Chemical elements
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -6.2
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.236
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 invertebrates was predicted for sodium benzenesulfinate (873-55-2). EC50 value was estimated to be 130.5 mg/l for Daphnia magna for 48 hrs duration. Based on the value, sodium benzenesulfinate (873-55-2) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 130.5 mg/L
Additional information
Short term toxicity to aquatic invertebrates for sodium benzenesulfinate (873-55-2) was summaries with predicted data for target and experimental studies of read across are summarised as follows:
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 invertebrates was predicted for sodium benzenesulfinate (873-55-2). EC50 value was estimated to be 130.5 mg/l for Daphnia magna for 48 hrs duration. Based on the value, sodium benzenesulfinate (873-55-2) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Study was performed according to the OECD guideline 202 on read across sodium ethenesulfonate (3039-83-6) from IUCLID dataset (2000).The test was performed for 48 hrs After the experiment, the EC 50 value for sodium ethenesulfonate (3039-83-6) for short term toxicity to daphnia magna was determined to be >100 mg/l. Based on the value, sodium ethenesulfonate (3039-83-6) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Information for another read across benzenesulfonic acid (98-11-3) from IUCLID dataset, NOTOX Company, (2003) indicate that study was performed according to the OECD guideline 202. The test was performed for 48 hrs in daphnia magna. After the experiment, the EC 50 value for benzenesulfonic acid (98-11-3) for short term toxicity to aquatic invertebrates was determined to be 963000 mg/l. Based on the value, benzenesulfonic acid (98-11-3) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Based on the above prediction of target and studies of functional read across, it was considered that sodium benzenesulfinate (873-55-2) was non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
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