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EC number: 218-941-2 | CAS number: 2295-31-0
- 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
Endpoint summary
Administrative data
Description of key information
Skin irritation
The skin irritation potential for test chemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) was estimated to be not irritating to skin of New Zealand White Rabbits.
Based on the estimated result, 1,3-thiazolidine-2,4 -dione (CAS No: 2295-31-0) can be considered to be not irritating to skin and can be classified under the category “Not classified” as per CLP regulation.
Eye irritation
The eye irritation potential for test chemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) was estimated to be not irritating to eyes of New Zealand White Rabbits.
Based on the estimated result, 1,3-thiazolidine-2,4 -dione (CAS No: 2295-31-0) can be considered to be 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 version 3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2,4-Thiazolidinedione
- Molecular formula: C3H3NO2S
- Molecular weight: 117.1277 g/mol
- Substance type: organic
- Physical state: Solid
- Smiles notation: C1C(=O)NC(=O)S1
- InChl: 1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) - Species:
- rabbit
- Strain:
- New Zealand White
- Type of coverage:
- occlusive
- Preparation of test site:
- clipped
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- no data
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 72 hours
- Number of animals:
- 6
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- Skin irritating effects were not observed in treated animals.
- Interpretation of results:
- other: not irritating
- Conclusions:
- 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) was estimated to be not irritating to skin of New Zealand White Rabbits.
- Executive summary:
The skin irritation potential for test chemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) was estimated to be not irritating to skin of New Zealand White Rabbits.
Based on the estimated result, 1,3-thiazolidine-2,4 -dione (CAS No: 2295-31-0) can be considered to be 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 8 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Thiazolidinediones by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> N-Hydroxylamines OR AN2 >> Michael-type addition on alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on
alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered
Lactones OR AN2 >> Schiff base formation OR AN2 >> Schiff base formation
>> Dicarbonyl compounds OR AN2 >> Schiff base formation by aldehyde
formed after metabolic activation OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation >> Geminal Polyhaloalkane
Derivatives OR AN2 >> Shiff base formation after aldehyde release OR AN2
>> Shiff base formation after aldehyde release >> Specific Acetate
Esters OR AN2 >> Shiff base formation for aldehydes OR AN2 >> Shiff base
formation for aldehydes >> Geminal Polyhaloalkane Derivatives OR
Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >>
Coumarins OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide Side Chain OR Non-specific OR
Non-specific >> Incorporation into DNA/RNA, due to structural analogy
with nucleoside bases OR Non-specific >> Incorporation into DNA/RNA,
due to structural analogy with nucleoside bases >> Specific Imine
and Thione Derivatives OR Radical OR Radical >> Radical mechanism via
ROS formation (indirect) OR Radical >> Radical mechanism via ROS
formation (indirect) >> Coumarins OR Radical >> Radical mechanism via
ROS formation (indirect) >> Geminal Polyhaloalkane Derivatives OR
Radical >> Radical mechanism via ROS formation (indirect) >>
N-Hydroxylamines OR Radical >> Radical mechanism via ROS formation
(indirect) >> Nitro Azoarenes OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitroarenes with Other Active Groups OR Radical
>> Radical mechanism via ROS formation (indirect) >> Nitrophenols,
Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >> Radical
mechanism via ROS formation (indirect) >> p-Substituted
Mononitrobenzenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Single-Ring Substituted Primary Aromatic Amines OR Radical
>> Radical mechanism via ROS formation (indirect) >> Specific Imine and
Thione Derivatives 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 SN1 >> Carbenium ion formation OR SN1 >> Carbenium ion
formation >> Alpha-Haloethers OR SN1 >> Nucleophilic attack after
carbenium ion formation OR SN1 >> Nucleophilic attack after carbenium
ion formation >> Specific Acetate Esters OR SN1 >> Nucleophilic attack
after diazonium or carbenium ion formation OR SN1 >> Nucleophilic attack
after diazonium or carbenium ion formation >> Nitroarenes with Other
Active Groups OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> N-Hydroxylamines OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Single-Ring Substituted Primary
Aromatic Amines OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Nitro Azoarenes OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation >> Nitroarenes with
Other Active Groups OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> p-Substituted Mononitrobenzenes OR SN1 >>
Nucleophilic substitution on diazonium ions OR SN1 >> Nucleophilic
substitution on diazonium ions >> Specific Imine and Thione Derivatives
OR SN2 OR SN2 >> Acylation OR SN2 >> Acylation >> Specific Acetate
Esters OR SN2 >> Acylation involving a leaving group OR SN2 >>
Acylation involving a leaving group >> Geminal Polyhaloalkane
Derivatives OR SN2 >> Acylation involving a leaving group after
metabolic activation OR SN2 >> Acylation involving a leaving group after
metabolic activation >> Geminal Polyhaloalkane Derivatives OR SN2 >>
Alkylation, direct acting epoxides and related OR SN2 >> Alkylation,
direct acting epoxides and related >> Epoxides and Aziridines 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 >> Alkylation, nucleophilic substitution
at sp3-carbon atom OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom >> Sulfonates and Sulfates OR SN2 >> Alkylation, ring
opening SN2 reaction OR SN2 >> Alkylation, ring opening SN2 reaction >>
Four- and Five-Membered Lactones OR SN2 >> Direct acting epoxides formed
after metabolic activation OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Coumarins OR SN2 >> Direct acting epoxides
formed after metabolic activation >> Quinoline Derivatives OR SN2 >>
Direct acylation involving a leaving group OR SN2 >> Direct acylation
involving a leaving group >> Acyl Halides OR SN2 >> DNA alkylation OR
SN2 >> DNA alkylation >> Alkylphosphates, Alkylthiophosphates and
Alkylphosphonates OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR
SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonium
ion formation (enzymatic) OR SN2 >> Internal SN2 reaction with
aziridinium and/or cyclic sulfonium ion formation (enzymatic) >> Vicinal
Dihaloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR
SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate
Esters OR SN2 >> Nucleophilic substitution at sp3 carbon atom after
thiol (glutathione) conjugation OR SN2 >> Nucleophilic substitution at
sp3 carbon atom after thiol (glutathione) conjugation >> Geminal
Polyhaloalkane Derivatives OR SN2 >> SN2 at an activated carbon atom OR
SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives OR SN2
>> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2
OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >> Nitroarenes
with Other Active Groups by DNA binding by OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup OR
Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non
binder, non cyclic structure OR Strong binder, NH2 group OR Strong
binder, OH group OR Very strong binder, OH group OR Weak binder, NH2
group OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acylation >> Acyl transfer via
nucleophilic addition reaction OR Acylation >> Acyl transfer via
nucleophilic addition reaction >> Isocyanates, Isothiocyanates OR
Acylation >> Direct acylation involving a leaving group OR Acylation >>
Direct acylation involving a leaving group >> (Thio)Acyl and
(thio)carbamoyl halides and cyanides OR Acylation >> Direct acylation
involving a leaving group >> Anhydrides (sulphur analogues of
anhydrides) OR Acylation >> Direct acylation involving a leaving group
>> Azlactones and unsaturated lactone derivatives OR Acylation >>
Direct acylation involving a leaving group >> Carbamates OR Acylation
>> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or
thiolysis >> Activated aryl esters OR Acylation >> Ring opening
acylation OR Acylation >> Ring opening acylation >> Active cyclic agents
OR Michael Addition OR Michael Addition >> Michael addition on
conjugated systems with electron withdrawing group OR Michael Addition
>> Michael addition on conjugated systems with electron withdrawing
group >> alpha,beta-Carbonyl compounds with polarized double bonds OR
Michael Addition >> Michael addition on conjugated systems with electron
withdrawing group >> Conjugated systems with electron withdrawing groups
OR Michael Addition >> Quinoide type compounds OR Michael Addition >>
Quinoide type compounds >> Quinone methide(s)/imines; Quinoide oxime
structure; Nitroquinones, Naphthoquinone(s)/imines OR No alert found OR
Nucleophilic addition OR Nucleophilic addition >> Addition to
carbon-hetero double bonds OR Nucleophilic addition >> Addition to
carbon-hetero double bonds >> Ketones OR Schiff base formation OR Schiff
base formation >> Pyrazolones and Pyrazolidinones derivatives OR Schiff
base formation >> Pyrazolones and Pyrazolidinones derivatives >>
Pyrazolones and Pyrazolidinones OR SN2 OR SN2 >> Nucleophilic
substitution at sp3 carbon atom OR SN2 >> Nucleophilic substitution at
sp3 carbon atom >> Alkyl halides OR SN2 >> Nucleophilic substitution at
sp3 carbon atom >> alpha-Activated haloalkanes OR SN2 >> SN2 Reaction
at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3 carbon atom >>
Activated alkyl esters and thioesters OR SNAr OR SNAr >> Nucleophilic
aromatic substitution on activated aryl and heteroaryl compounds OR SNAr
>> Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds >> Activated aryl and heteroaryl compounds by Protein binding
by OASIS v1.3
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found OR SN2 OR SN2 >>
SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon
atom >> Alkyl diazo by Protein binding by OECD
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "o"
Similarity
boundary:Target:
O=C1CSC(=O)N1
Threshold=60%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.91
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.16
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 Version 3.3 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2,4-Thiazolidinedione
- Molecular formula: C3H3NO2S
- Molecular weight: 117.1277 g/mol
- Substance type: organic
- Physical state: Solid
- Smiles notation: C1C(=O)NC(=O)S1
- InChl: 1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) - Species:
- rabbit
- Strain:
- Vienna White
- Details on test animals or tissues and environmental conditions:
- no data
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- no data
- Duration of treatment / exposure:
- 8 d
- Observation period (in vivo):
- 8 d
- Duration of post- treatment incubation (in vitro):
- no data
- Number of animals or in vitro replicates:
- no data
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: 8 d
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- Eye irritating effects were not observed in treated animals
- Interpretation of results:
- other: not irritating
- Conclusions:
- The test substance1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) is estimated to be not irritating to eye of Vienna White Rabbits over a 8 days observation period .
- Executive summary:
An eye irritation potential for test chemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) is estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The test substance1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) is estimated to be not irritating to eye of Vienna White Rabbits over a 8 days observation period . Based on the estimated result, test chemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) can be considered to be not irritating to eye and can be classified under the category “Not classified” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and (
not "n")
)
)
and "o" )
and "p" )
and ("q"
and "r" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Thiazolidinediones by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> N-Hydroxylamines OR AN2 >> Michael-type addition on alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on
alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered
Lactones OR AN2 >> Schiff base formation by aldehyde formed after
metabolic activation OR AN2 >> Schiff base formation by aldehyde formed
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR AN2
>> Shiff base formation after aldehyde release OR AN2 >> Shiff base
formation after aldehyde release >> Specific Acetate Esters OR AN2 >>
Shiff base formation for aldehydes OR AN2 >> Shiff base formation for
aldehydes >> Geminal Polyhaloalkane Derivatives OR Non-covalent
interaction OR Non-covalent interaction >> DNA intercalation OR
Non-covalent interaction >> DNA intercalation >> Coumarins OR
Non-covalent interaction >> DNA intercalation >> DNA Intercalators with
Carboxamide Side Chain OR Non-specific OR Non-specific >> Incorporation
into DNA/RNA, due to structural analogy with nucleoside bases OR
Non-specific >> Incorporation into DNA/RNA, due to structural analogy
with nucleoside bases >> Specific Imine and Thione Derivatives OR
Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR
Radical >> Radical mechanism via ROS formation (indirect) >> Coumarins
OR Radical >> Radical mechanism via ROS formation (indirect) >> Geminal
Polyhaloalkane Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> N-Hydroxylamines OR Radical >> Radical mechanism
via ROS formation (indirect) >> Nitro Azoarenes OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitroarenes with Other Active
Groups OR Radical >> Radical mechanism via ROS formation (indirect) >>
Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >>
Radical mechanism via ROS formation (indirect) >> p-Substituted
Mononitrobenzenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Single-Ring Substituted Primary Aromatic Amines OR Radical
>> Radical mechanism via ROS formation (indirect) >> Specific Imine and
Thione Derivatives 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 SN1 >> Carbenium ion formation OR SN1 >> Carbenium ion
formation >> Alpha-Haloethers OR SN1 >> Nucleophilic attack after
carbenium ion formation OR SN1 >> Nucleophilic attack after carbenium
ion formation >> Specific Acetate Esters OR SN1 >> Nucleophilic attack
after diazonium or carbenium ion formation OR SN1 >> Nucleophilic attack
after diazonium or carbenium ion formation >> Nitroarenes with Other
Active Groups OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> N-Hydroxylamines OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Single-Ring Substituted Primary
Aromatic Amines OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Nitro Azoarenes OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation >> Nitroarenes with
Other Active Groups OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> p-Substituted Mononitrobenzenes OR SN1 >>
Nucleophilic substitution on diazonium ions OR SN1 >> Nucleophilic
substitution on diazonium ions >> Specific Imine and Thione Derivatives
OR SN2 OR SN2 >> Acylation OR SN2 >> Acylation >> Specific Acetate
Esters OR SN2 >> Acylation involving a leaving group OR SN2 >>
Acylation involving a leaving group >> Geminal Polyhaloalkane
Derivatives OR SN2 >> Acylation involving a leaving group after
metabolic activation OR SN2 >> Acylation involving a leaving group after
metabolic activation >> Geminal Polyhaloalkane Derivatives 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 >> Alkylation, nucleophilic substitution
at sp3-carbon atom OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom >> Sulfonates and Sulfates OR SN2 >> Alkylation, ring
opening SN2 reaction OR SN2 >> Alkylation, ring opening SN2 reaction >>
Four- and Five-Membered Lactones OR SN2 >> Direct acting epoxides formed
after metabolic activation OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Coumarins OR SN2 >> Direct acting epoxides
formed after metabolic activation >> Quinoline Derivatives OR SN2 >>
Direct acylation involving a leaving group OR SN2 >> Direct acylation
involving a leaving group >> Acyl Halides OR SN2 >> DNA alkylation OR
SN2 >> DNA alkylation >> Alkylphosphates, Alkylthiophosphates and
Alkylphosphonates OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR
SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonium
ion formation (enzymatic) OR SN2 >> Internal SN2 reaction with
aziridinium and/or cyclic sulfonium ion formation (enzymatic) >> Vicinal
Dihaloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR
SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate
Esters OR SN2 >> Nucleophilic substitution at sp3 carbon atom after
thiol (glutathione) conjugation OR SN2 >> Nucleophilic substitution at
sp3 carbon atom after thiol (glutathione) conjugation >> Geminal
Polyhaloalkane Derivatives OR SN2 >> SN2 at an activated carbon atom OR
SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives OR SN2
>> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2
OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >> Nitroarenes
with Other Active Groups by DNA binding by OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup OR
Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non
binder, non cyclic structure OR Strong binder, NH2 group OR Strong
binder, OH group OR Very strong binder, OH group OR Weak binder, OH
group by Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acylation >> Direct Acylation
Involving a Leaving group >> Acyl halides (including benzyl and
carbamoyl deriv.) OR Acylation >> Direct Acylation Involving a Leaving
group >> Anhydrides OR Acylation >> Direct Acylation Involving a Leaving
group >> Azlactone OR Acylation >> Direct Acylation Involving a Leaving
group >> Dialkyl carbamoylhalides OR Acylation >> Isocyanates and
Related Chemicals OR Acylation >> Isocyanates and Related Chemicals >>
Isocyanates OR Michael addition OR Michael addition >> Acid imides OR
Michael addition >> Acid imides >> Acid imides-MA OR Michael addition >>
Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised
alkene - amides OR Michael addition >> Polarised Alkenes >> Polarised
alkene - esters OR Michael addition >> Polarised Alkenes >> Polarised
alkene - ketones OR Michael addition >> Quinones and Quinone-type
Chemicals OR Michael addition >> Quinones and Quinone-type Chemicals >>
Quinone-imine OR No alert found OR SN2 OR SN2 >> SN2 reaction at sp3
carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl diazo OR
SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related
chemicals OR SN2 >> SN2 reaction at sp3 carbon atom >>
alpha-Halocarbonyls OR SNAr OR SNAr >> Nucleophilic aromatic
substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated
halo-benzenes by Protein binding by OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Moderately reactive (GSH) OR
Moderately reactive (GSH) >> 2-Chloroacetamides (SN2) OR Moderately
reactive (GSH) >> 2-Vinyl carboxamides (MA) OR Moderately reactive (GSH)
>> Substituted 1-Alken-3-ones (MA) by Protein binding potency
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O AND Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Group 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr OR Group 17 - Halogens Cl OR Group 17 - Halogens F OR
Group 17 - Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "p"
Similarity
boundary:Target:
O=C1CSC(=O)N1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.651
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.531
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation
Various studieshas been investigated for the test chemical1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and humans for target chemical1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) and its structurally similar read across substances1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0), Tetrahydrothiophene (CAS No: 110-01-0) and 2-Pyrrolidone (CAS No: 616-45-5).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemical1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0). The test substance1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) is estimated to be not irritating to skin of New Zealand White Rabbits when applied dermally at concentration of 500mg for 72 hours observation period.
The above result was supported by three skin irritation studies reported by Cosmetic Ingredient Review (Journal Of The American College Of Toxicology Volume 7, Number 3, 1988) in rabbits and human subjects for structurally similar read across substance1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0) as follow;
The primary irritation was assessed according to the protocol outlined in Title 16 parts 1500.3 (c)(4) and 1500.41 of the Code of Federal Regulations for chemical 1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0).According to this protocol, the test substance (volume, 0.5 ml) was applied to both abraded and intact clipped skin of albino rabbits (a minimum of 6) via a square patch made of surgical gauze (Table 6). The patches remained intact for 24 h, after which any reactions were evaluated. Subsequent evaluations were made 48 h after the initial ones. .No known signs of irritation was observed after skin evaluation. HenceThe chemical1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0)was considered to be not irritating to both abraded and intact clipped skin of albino rabbits.
The next skin irritation study of 1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0) was conducted on the facial skin of 53 panelists .In this test, 0.10% of test chemical was applied to the facial skin of 53 panelists at a concentration of 100% over a period of 4 weeks (Table 10). Applications were made with closed patches according to the standard 48-h method by Fregert. The test chemical failed to induce any adverse skin reactions. Thus the chemical 1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0) was considered to be not irritating to the facial skin of 53 panelists.
In the third study, the cumulative skin irritation potential of 1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0) was evaluated in 10 subjects (9 females, 1 male) according to the procedures of Lanman”” and Phillips et al. The test substance was applied (no patch cover) to the paraspinal region of each subject. A total of 21 consecutive applications were made, and each remained for 23 h. Scoring for cumulative irritation was done 24 h after application of the test substance; reapplication at the original site was done immediately afterward. Since there was no evidence of cumulative irritation in any of the subjects during the study, the chemical 1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0) was considered to be not irritating to 10 subjects.
U.S. National Library of Medicine(HSDB, 2016) performed a patch test in albino rabbits for anotherstructurally similar read across substanceTetrahydrothiophene (CAS No: 110-01-0) according to FHSA. The substance did not produce visible destruction or irreversible alterations in the tissue at the site of contact. Hence the test chemical Tetrahydrothiophene (CAS No: 110-01-0) was considered to be not irritating to the skin of albino rabbits.
The above results were further supported by experimental data reported by U.S. Environmental Protection Agency Hazard Characterization Document(2014) on anotherstructurally similar read across substance2-Pyrrolidone (CAS No: 616-45-5) inthree New Zealand white rabbits.Each rabbits were exposed to 500 mg of undiluted test chemical for 4 hours exposure period and skin reactions wereobserved up to 72 hours. The test site was washed after exposure. Slight erythema was exhibited by one rabbit, which resolved after 24 hours and no corrosion was observed. Therefore thetest chemical2-Pyrrolidone (CAS No: 616-45-5)was considered to be not irritatingto the skin ofthree New Zealand white rabbits.
Thus on the basis of the available data for the target substance 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) and its structurally similar read across substances1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0), Tetrahydrothiophene (CAS No: 110-01-0) and 2-Pyrrolidone (CAS No: 616-45-5),it can be concluded thatchemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) is unable to cause skin irritation and considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation
In different studies,the test chemical1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) has been investigated forpotential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemical1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) and its structurally similar read across substances1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0), Tetrahydrothiophene (CAS No: 110-01-0).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;
The prediction modelOECD QSAR toolbox version 3.3 with logPow as the primary descriptor, estimated an eye irritation potential for test chemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0). The test substance 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) is estimated to be not irritating to eye of Vienna White Rabbits over a 8 days observation period.
The above result was supported by two ocular irritation studies reported by Cosmetic Ingredient Review (Journal Of The American College Of Toxicology Volume 7, Number 3, 1988) in rabbits for structurally similar read across substance1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0) as follow;
The first eye irritation study was assessed in albino rabbits according to the procedures outlined in Title 16 parts 1500.3(c)(4) and 1500.42 of the Code of Federal Regulations for chemical 1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0).In this test, one-tenth milliliter of the test substance was placed in one eye of each of 6 albino rabbits. The untreated eyes served as controls. Grading for keratitis, iritis, and conjunctival redness was performed 24, 48, and 72 h after application. No known positive eye reactions were noted after evaluation. Hence the testmaterial1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0)was considerd to be not irritatingto the eye of six albino rabbits.
The next Ocular irritation study was conducted in New Zealand white rabbits according to the modified procedures outlined in Title 16 parts 1500.3(c)(4) and 1500.42 of the Code of Federal Regulations for 1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0).In this study, 1% (w/v) solution of the test substance in distilled water (effective DMDM Hydantoin concentration, 0.55%) was applied in 0.1 ml volumes to one eye of each of 9 New Zealand white rabbits. The contralateral eye served as the control. Fifteen seconds after administration of the solution, the treated eyes of 3 rabbits were rinsed with 30 ml of tap water.Reactions in rinsed and unrinsed eyes were graded for irritation on days 1, 2, and 3 after administration of the test substance according to the method of Draize et al.Since there were no signs of irritation noted for either rinsed or unrinsed eyes, the test material1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0) was considered to be not irritating to the eye of New Zealand white rabbits.
MAK Value Documentation (2012) performed an eye irritation potential of Tetrahydrothiophene (CAS No: 110-01-0) in six albino rabbits. In this test, 0.1 ml (100 mg) tetrahydrothiophene was instilled into the conjunctival sac of one of both eyes and later ocular lesions were noted. The instillation caused pain and blepharospasms. Severe inflammation, chemosis and slightly deepened folds of the iris were observed during the first four hours. Twenty-four hours after the treatment, only mild inflammation of the conjunctiva was still visible. Since the ocular lesions were not persisted after 24 hours, the test material Tetrahydrothiophene (CAS No: 110-01-0) was considered to be not irritating to the eye of six albino rabbits.
The above results were further supported by an eye irritation study conducted byU.S. National Library of Medicine(HSDB, 2016) according to FHSA in albino rabbits for anotherstructurally similar read across substanceTetrahydrothiophene (CAS No: 110-01-0). The test chemical did not elicit any local inflammatory reaction. Hencethe test chemicalTetrahydrothiophene (CAS No: 110-01-0)was considered to be not irritatingto the eye of albino rabbits.
Thus on the basis of the available data for the target substance 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) and its structurally similar read across substances1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0), Tetrahydrothiophene (CAS No: 110-01-0) and 2-Pyrrolidone (CAS No: 616-45-5),it can be concluded thatchemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) is unable to cause eye irritation and considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemical1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0) and its structurally similar read across substances1,3-Dimethylol-5,5-dimethylhydantoin (CAS No: 6440-58-0), Tetrahydrothiophene (CAS No: 110-01-0) and 2-Pyrrolidone (CAS No: 616-45-5) were observed in various studies. The results obtained from these studies indicates that the test chemical 1,3-thiazolidine-2,4-dione (CAS No: 2295-31-0)is not likely to cause skin and eye irritation. Hence2,2,2-trichloroacetaldehyde (CAS No: 75-87-6) can be classified under the category “Not Classified” for skin and eye as per CLP.
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