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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
Endpoint summary
Administrative data
Description of key information
Skin Irritation:
The dermal irritation potential of sodium benzenesulfinate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
Sodium benzenesulfinate was estimated to be not irritating to the skin of New Zealand White rabbits.
Based on the estimated results, sodium benzenesulfinate can be considered not irritating to skin and can be classified under the category “Not Classified” as per CLP regulation.
Eye Irritation:
The ocular irritation potential of sodium benzenesulfinate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
Sodium benzenesulfinate was estimated to be not irritating to the eyes of New Zealand White rabbits.
Based on the estimated results, sodium benzenesulfinate can be considered not irritating to eyes and can be classified under the category “Not Classified” as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- 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:
- data is from OECD QSAR toolbox v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 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 - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- no data available
- Type of coverage:
- semiocclusive
- Preparation of test site:
- shaved
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.5g
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 1,24,48 and 72 hours, day7 and day 14 after patch removal
- Number of animals:
- 2
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: 1,24,48,72 hours and 7,14 days
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- no irritation observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- Sodium benzenesulfinate was estimated to be not irritating to the skin of New Zealand White rabbits.
- Executive summary:
The dermal irritation potential of sodium benzenesulfinate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
Sodium benzenesulfinate was estimated to be not irritating to the skin of New Zealand White rabbits.
Based on the estimated results, sodium benzenesulfinate can be considered not irritating to skin and can be classified under the category “Not Classified” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 9 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and "q" )
and ("r"
and (
not "s")
)
)
and "t" )
and "u" )
and "v" )
and "w" )
and ("x"
and (
not "y")
)
)
and ("z"
and "aa" )
)
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 DNA binding by
OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2
>> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR Michael
addition OR Michael addition >> Quinone type compounds OR Michael
addition >> Quinone type compounds >> Quinone methides OR Radical OR
Radical >> ROS formation after GSH depletion OR Radical >> ROS formation
after GSH depletion >> Quinone methides OR SN1 OR SN1 >> Alkylation
after metabolically formed carbenium ion species OR SN1 >> Alkylation
after metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN2 OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives OR
SN2 >> Direct acting epoxides formed after metabolic activation OR SN2
>> Direct acting epoxides formed after metabolic activation >> Quinoline
Derivatives OR SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at
an activated carbon atom >> Quinoline Derivatives by DNA binding by
OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic
(PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition by
DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Ketones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "l"
Similarity
boundary:Target:
O=S(c1ccccc1)O{-}.[Na]{+}
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Aliphatic amines (Mucous membrane irritation)
Rank C OR Aliphatic nitriles (Hepatotoxicity) Rank B OR Aromatic
hydrocarbons (Liver enzyme induction) Rank C OR Tamoxifen
(Hepatotoxicity) Alert OR Thiocarbamates/Sulfides (Hepatotoxicity) No
rank by Repeated dose (HESS)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Metals, oxidative stress
(Nongenotox) OR o-phenylphenol (Nongenotox) OR Primary aromatic
amine,hydroxyl amine and its derived esters (Genotox) OR Structural
alert for genotoxic carcinogenicity OR Structural alert for nongenotoxic
carcinogenicity by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> Vinyl pyridines by DPRA Cysteine peptide depletion
Domain
logical expression index: "t"
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: "u"
Referential
boundary: The
target chemical should be classified as Anion AND Aromatic compound AND
Cation AND Sulfinic acid derivative by Organic functional groups,
Norbert Haider (checkmol) ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (with extensions) ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as weeks - months by Biodeg
ultimate (Biowin 3) ONLY
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines OR
Alkoxysilanes OR Aluminum Compounds OR Benzotriazoles (Acute toxicity)
OR Boron Compounds OR Lanthanides or Rare Earth Metals OR Nickel
Compounds OR Soluble complexes of Zinc OR Zirconium Compounds by US-EPA
New Chemical Categories
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4.46
Domain
logical expression index: "aa"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -1.6
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- 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:
- data is from OECD QSAR toolbox v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 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 - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- no data available
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.1 g
- Duration of treatment / exposure:
- single application
- Observation period (in vivo):
- 1,24,48 and 72 hours
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: 1,24,48 and 72 hours
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- no irritation observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- Sodium benzenesulfinate was estimated to be not irritating to the eyes of New Zealand White rabbits.
- Executive summary:
The ocular irritation potential of sodium benzenesulfinate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
Sodium benzenesulfinate was estimated to be not irritating to the eyes of New Zealand White rabbits.
Based on the estimated results, sodium benzenesulfinate can be considered not irritating to eyes and can be classified under the category “Not Classified” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((("a"
or "b" or "c" or "d") and("e"
and(not
"f")) ) and("g"
and(not
"h")) ) and
"i") and
"j") and("k"
and(not
"l")) ) and("m"
and(not
"n")) ) and("o"
and(not
"p")) ) and
"q") and("r"
and(not
"s")) ) and
"t") and("u"
and(not
"v")) ) and
"w") and
"x") and
"y") and
"z") and
"aa") and
"ab") and("ac"
and "ad") )
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 DNA binding by
OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2
>> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR Michael
addition OR Michael addition >> Quinone type compounds OR Michael
addition >> Quinone type compounds >> Quinone methides OR Radical OR
Radical >> ROS formation after GSH depletion OR Radical >> ROS formation
after GSH depletion >> Quinone methides OR SN2 OR SN2 >> Alkylation,
direct acting epoxides and related OR SN2 >> Alkylation, direct acting
epoxides and related >> Epoxides and Aziridines OR SN2 >> Direct acting
epoxides formed after metabolic activation OR SN2 >> Direct acting
epoxides formed after metabolic activation >> Quinoline Derivatives OR
SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at an activated
carbon atom >> Quinoline Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Similarity
boundary:Target:
O=S(c1ccccc1)O{-}.[Na]{+}
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "l"
Referential
boundary:The
target chemical should be classified as Aliphatic amines (Mucous
membrane irritation) Rank C OR Aliphatic nitriles (Hepatotoxicity) Rank
B OR Aromatic hydrocarbons (Liver enzyme induction) Rank C OR Tamoxifen
(Hepatotoxicity) Alert OR Thiocarbamates/Sulfides (Hepatotoxicity) No
rank by Repeated dose (HESS)
Domain
logical expression index: "m"
Referential
boundary:The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary:The
target chemical should be classified as Ketones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "o"
Referential
boundary:The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "p"
Referential
boundary:The
target chemical should be classified as Metals, oxidative stress
(Nongenotox) OR o-phenylphenol (Nongenotox) OR Primary aromatic
amine,hydroxyl amine and its derived esters (Genotox) OR Structural
alert for genotoxic carcinogenicity OR Structural alert for nongenotoxic
carcinogenicity by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "q"
Referential
boundary:The
target chemical should be classified as weeks - months by Biodeg
ultimate (Biowin 3) ONLY
Domain
logical expression index: "r"
Referential
boundary:The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "s"
Referential
boundary:The
target chemical should be classified as Aliphatic Amines OR
Alkoxysilanes OR Aluminum Compounds OR Benzotriazoles (Acute toxicity)
OR Boron Compounds OR Lanthanides or Rare Earth Metals OR Nickel
Compounds OR Soluble complexes of Zinc OR Zirconium Compounds by US-EPA
New Chemical Categories
Domain
logical expression index: "t"
Similarity
boundary:Target:
O=S(c1ccccc1)O{-}.[Na]{+}
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "u"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "v"
Referential
boundary:The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition to activated double bonds in vinyl pyridines OR AN2 >>
Michael-type addition to activated double bonds in vinyl pyridines >>
Ethenyl Pyridines OR AN2 >> Nucleophilic addition to pyridonimine
tautomer of aminopyridoindoles or aminopyridoimidazoles OR AN2 >>
Nucleophilic addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles >> Heterocyclic Aromatic Amines OR Radical
mechanism OR Radical mechanism >> ROS generation and direct attack of
hydroxyl radical to the C8 position of nucleoside base OR Radical
mechanism >> ROS generation and direct attack of hydroxyl radical to the
C8 position of nucleoside base >> Heterocyclic Aromatic Amines OR SE
reaction (CYP450-activated heterocyclic amines) OR SE reaction
(CYP450-activated heterocyclic amines) >> Direct attack of arylnitrenium
cation to the C8 position of nucleoside base OR SE reaction
(CYP450-activated heterocyclic amines) >> Direct attack of arylnitrenium
cation to the C8 position of nucleoside base >> Heterocyclic Aromatic
Amines OR SR reaction (peroxidase-activated heterocyclic amines) OR SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base OR SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines by Protein binding alerts for Chromosomal
aberration by OASIS v1.1
Domain
logical expression index: "w"
Referential
boundary:The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "x"
Referential
boundary:The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "y"
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: "z"
Referential
boundary:The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 7) ONLY
Domain
logical expression index: "aa"
Referential
boundary:The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "ab"
Referential
boundary:The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 2) ONLY
Domain
logical expression index: "ac"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4.46
Domain
logical expression index: "ad"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -2.4
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
In different studies, sodium benzenesulfinate has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with predicted data for target chemical sodium benzenesulfinate and its functionally similar read across substances, disodium benzene-1,3-disulfonate [CAS: 831-59-4] and Sodium benzene sulfonate [CAS: 515-42-4]. The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the dermal irritation potential was estimated for sodium benzenesulphinate. Sodium benzenesulphinate was estimated to be not irritating to the skin of New Zealand White rabbits.
This result is supported by the experimental study performed by Chin H. Tay et.al (International Journal of Toxicology, January 2004 vol. 23 no. 1 pp.11-16) on New Zealand White rabbits to assess the irritation potential of the functionally similar read across substance, disodium Benzene meta-disulfonate[CAS: 831-59-4]. The study was performed according to EPAOPPTS 870.2500, “Acute Dermal Irritation” Guidelines.
Two concentrations of disodium benzene meta-disulfonate were tested in separate groups of animals, 3 female and 3 male rabbits: 5000 and 2000 mg/L. The pH of the 5000 mg/L test substance ranged from 7.07 to 6.22 prior to dosing and after the 4-hour exposure. The pH of the 2000 mg/L test substances, measured prior to dosing and after the 4-hour exposure, ranged from 7.04 to 6.96.
Each dose of test compound (0.5 ml of each concentration for each dose cohort) was applied to a small area of skin (approximately 6cm2) and covered with four layers of gauze patch held in place with nonirritating tape. Since the compound was in liquid form, it was applied to the gauze before application to the skin. The patch was loosely held in contact with the skin using a semi-occlusive dressing for the exposure period of 4 hours. At the end of the 4-hour exposure period, the patches were removed and the skin wiped to remove any test substance still remaining. Animals were observed for signs of erythema and edema at 1, 24, 48, and 72 hours after patch removal. Observations of erythema or edema were scored according to the Draize Scale for Scoring Skin Reactions (USEPA 1998). This scale assesses irritation as follows: 0, no erythema or edema; 1, very slight erythema and/or edema (barely perceptible); 2, well-defined erythema and/or slight edema; 3, moderate to severe erythema or moderate edema, and 4, severe erythema and/or edema. Animals were weighed before exposure and at the end of the exposure period (day 3) and observed daily for the incidence of any clinical signs of toxicity (other than erythema and edema). Control skin showed no signs of irritation. At 5000 mg/L, very slight (one animal, Draize Score 1) and well defined erythema (two animals, Draize Score 2) were observed 1 hour after removal of the test substance. At the 24-hour observation point, only two animals demonstrated very slight irritation. By 48 hours, very slight irritation remained on only one of the two test animals. By 72 hours, no irritation was observed on any animal. No erythema or edema was observed in any test animals at 2000 mg/L.
Since the effects at 5000mg/l were fully reversible within 72 hours and not observed at 2000 mg/l, disodium Benzene meta-disulfonate can be considered not irritating to rabbit skin.
The above results are also supported by the experimental study performed by Chin H. Tay et.al (International Journal of Toxicology, January 2004 vol. 23 no. 1 pp.11-16) on New Zealand White rabbits to assess the irritation potential of the functionally similar read across substance, Sodium benzene sulfonate [CAS: 515-42-4]. Four doses were applied: 5000 mg/L, 2000 mg/L, 1000 mg/L, and 500 mg/l to 6 male and 6 female rabbits per dose group. The pH of the 1000 mg/L dosage was 7.01 and 6.98 prior to dosing and after the 4-hour exposure, respectively. For the 5000 mg/L dosage, the pH was 7.00 and 7.02 prior to dosing and after the 4-hour exposure, respectively.
Each dose of test compound (0.5 ml of each concentration for each dose cohort) was applied to a small area of skin (approximately 6cm2) and covered with four layers of gauze patch held in place with nonirritating tape. Since the compound was in liquid form, it was applied to the gauze before application to the skin. The patch was loosely held in contact with the skin using a semi-occlusive dressing for the exposure period of 4 hours.
At the end of the 4-hour exposure period, the patches were removed and the skin wiped to remove any test substance still remaining. Animals were observed for signs of erythema and edema at 1, 24, 48, and 72 hours after patch removal. Observations of erythema or edema were scored according to the Draize Scale for Scoring Skin Reactions (USEPA 1998). This scale assesses irritation as follows: 0, no erythema or edema; 1, very slight erythema and/or edema (barely perceptible); 2, well-defined erythema and/or slight edema; 3, moderate to severe erythema or moderate edema, and 4, severe erythema and/or edema. Animals were weighed before exposure and at the end of the exposure period (day 3) and observed daily for the incidence of any clinical signs of toxicity (other than erythema and edema). Control skin showed no signs of irritation.At a dose of 5000 mg/L, very slight erythema (Draize Score 1) was observed in all three test animals 1 hour after removal of the gauze containing the benzene sulfonate solution. At the 24-hour observation point, very slight irritation (Draize Score 1) was observed in one of the three test animals. At the 48- and 72-hour observation points, the irritation was reversed, and no irritation was observed in any of the animals. Edema was not observed at any time. Control skin showed no signs of irritation. At 2000 mg/L, very slight erythema (Draize Score 1) was observed in two of the three test animals 1 hour after removal of the benzene sulfonate solution. The irritation was reversed by 24 hours. No erythema was observed in any test animals at this dosage at 24, 48 or 72 hours.
Since the effects at all dose levels were fully reversible within 72 hours, Sodium Benzene sulfonate can be considered not irritating to rabbit skin.
Based on the available data for the target as well as read across chemicals and applying the weight of evidence approach, sodium benzene sulphinate can be considered not irritating to skin.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Not Classified”.
Eye irritation:
In different studies, sodium benzenesulfinate has been investigated for potential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with predicted data for target chemical sodium benzenesulfinate and its functionally similar read across substances, Sodium cumenesulphonate [CAS: 28348-53-0] andsodium 3 -nitrobenzenesulfonate[CAS: 127-68-4].The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the ocular irritation potential was estimated for sodium benzenesulphinate. Sodium benzenesulphinate was estimated to be not irritating to the eyes of New Zealand White rabbits.
This result is supported by the experimental study summarized in International Journal of Toxicology; Vol 30, Issue 6_suppl, pp. 270S - 283S, 2011; for the functionally similar read across substance, Sodium cumene sulphonate [CAS: 28348-53-0]. The test was performed in accordance with OECD 405 Guidelines. Undiluted Sodium cumene sulphonate instilled in to the rabbit eyes and effects were observed (dose and duration not specified). Sodium cumene sulphonate was not irritating to rabbit eyes.
The above results are also supported by the experimental study summarized in Chemosphere. Vol. 28, No. 12, pp. 2203.2236, 1994, for thefunctionally similar read across substance,sodium 3-nitrobenzenesulfonate[CAS: 127-68-4]. Undiluted sodium 3-nitrobenzenesulfonate was instilled into the rabbit eyes and observed for signs of irritation (duration not specified). No signs of irritation were observed. Hence, Sodium 3-nitrobenzenesulfonate was considered to be not irritating to eyes.
Based on the available data for the target as well as read across chemicals and applying the weight of evidence approach, sodium benzene sulphinate can be considered not irritating to eyes.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Not Classified”.
Justification for classification or non-classification
Available data for sodium benzenesulphinate suggests that it is not likely to cause any irritation to eyes and skin.
Sodium benzenesulphinate can be classified under the category “Not Classified” as per CLP regulation
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