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EC number: 208-358-1 | CAS number: 524-38-9
- 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 3.4 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2-hydroxy-1H-isoindole-1,3(2H)-dione
- Molecular formula: C8 H5 N O3
- Molecular weight: 163.132 g/mol
- Smiles notation: c12c(C(=O)N(C1=O)O)cccc2
- InChI: 1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H
- Substance type: Organic
- Physical state: Solid - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Test temperature:
- 21 ± 2 ºC
- Dissolved oxygen:
- 6 mg/L
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 161.94 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- EC50 value for 2-hydroxy-1H-isoindole-1,3(2H)-dione(CAS: 524-38-9) was estimated to be 161.94 mg/l for Daphnia magna for 48 hrs duration. Thus based on this value it can be concluded that the substance was considered to be non-toxic to aquatic invertebrate and can be considered to be not classified as per the CLP regulations.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for2-hydroxy-1H-isoindole-1,3(2H)-dione(CAS: 524-38-9). EC50 value was estimated to be 161.94 mg/l for Daphnia magna for 48 hrs duration. Thus based on this value it can be concluded that the substance was considered to be non-toxic to aquatic invertebrate 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 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and ("o"
and (
not "p")
)
)
and "q" )
and "r" )
and ("s"
and "t" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Imides (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl AND Fused saturated
heterocycles AND Hydroxamic acid AND Imide AND N-Hydroxylamine
derivatives by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aryl AND Fused saturated
heterocycles AND Hydroxamic acid AND Imide AND Overlapping groups by
Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Amide, aromatic attach [-C(=O)N]
AND Aromatic Carbon [C] AND Carbonyl, olefinic attach [-C(=O)-] AND
Carbonyl, one aromatic attach [-C(=O)-] AND Hydroxy, nitrogen attach
[-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, two or
tree olefinic attach [>N-] AND Olefinic carbon [=CH- or =C<] AND Oxygen,
nitrogen attach [-O-] AND Oxygen-subtution at N on [-CO-N-CO-] by
Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND Carbonic
acid derivative AND Carboxylic acid derivative AND Heterocyclic compound
by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
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: "g"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> Miscellaneous Alkyl 2-halo alkenoates (SN2) OR
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: "h"
Referential
boundary: The
target chemical should be classified as No alert found by DNA alerts for
AMES by OASIS v.1.4
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as AN2 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 Radical OR Radical >> Generation of ROS by
glutathione depletion (indirect) OR Radical >> Generation of ROS by
glutathione depletion (indirect) >> Haloalkanes Containing Heteroatom OR
Radical >> Radical mechanism by ROS formation OR Radical >> Radical
mechanism by ROS formation >> Five-Membered Aromatic Nitroheterocycles
OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical
>> Radical mechanism via ROS formation (indirect) >> Conjugated Nitro
Compounds OR Radical >> Radical mechanism via ROS formation (indirect)
>> Geminal Polyhaloalkane Derivatives OR SN1 OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Conjugated Nitro Compounds OR SN2 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 OR SN2 >> Alkylation >>
Alkylphosphates, Alkylthiophosphates and Alkylphosphonates OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom >> Haloalkanes
Containing Heteroatom OR SN2 >> Nucleophilic substitution at sp3 Carbon
atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >>
Haloalkanes Containing Heteroatom 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 by DNA alerts for AMES
by OASIS v.1.4
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by in vitro
mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as alpha,beta-unsaturated carbonyls
OR Aromatic N-acyl amine OR Hydrazine by in vitro mutagenicity (Ames
test) alerts by ISS
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor by
in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as No alert found OR Oxolane by in
vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 1) ONLY
Domain
logical expression index: "r"
Similarity
boundary:Target:
ON1C(=O)c2ccccc2C1=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.37
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.91
Description of key information
Short term toxicity to aquatic invertebrates
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for2-hydroxy-1H-isoindole-1,3(2H)-dione(CAS: 524-38-9). EC50 value was estimated to be 161.94 mg/l for Daphnia magna for 48 hrs duration.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 161.94 mg/L
Additional information
Short term toxicity to aquatic invertebrates for2-hydroxy-1H-isoindole-1,3(2H)-dione(CAS: 524-38-9) was summaries with two predicted data and two experimental studies of two read across substances are as follows:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for2-hydroxy-1H-isoindole-1,3(2H)-dione(CAS: 524-38-9). EC50 value was estimated to be 161.94 mg/l for Daphnia magna for 48 hrs duration.
In another prediction done by EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. The LC50 value for short term toxicity to aquatic invertebrates was predicted to be 3010.80 mg/l for 2-hydroxy-1H-isoindole-1,3(2H)-dione in 48 hrs. Based on this value it can be concluded that the substance is considered to be not toxic to aquatic environment and can be considered to be not classified as per the criteria mentioned in CLP regulation.
Short term toxicity to aquatic invertebrates was performed for read across 1H-isoindole-1,3(2H)-dione (85-41-6) [J-check, 2010] which was 60-70 % structurally similar with target. The test was performed in Daphnia magna for 48 hrs in static fresh water system. The concentration ranges from 3.7, 6.7, 12.0, 21.6, 38.9, 70.0 mg/L along with control. Number of organisms per vessel was 20 per concentration i.e 5 per vessel. 16 hours light and 8 hour dark was the applied photoperiod. On the basis of experiment, the EC 50 value for 1H-isoindole-1,3(2H)-dione (85-41-6) was determined to be 20.8 mg/l. Based on the value the substance was considered to be toxic to aquatic invertebrates but as it was readily biodegradable, hence the 1H-isoindole-1,3(2H)-dione was considered to be not classified based on the CLP regulations.
For another read across N-Methylphthalimide (550-44-7) [HPVIS Robust summary, 2002] which was 80-90 % structurally similar with target , the test was performed in Daphnia magna for 24 hrs in static test condition. Nominal and measured test concentrations were used, in which the nominal concentration were used for test. The culture vessels were incubated in a temperature controlled room at 20 + 1ºC, under an 8-hour dark and 16-hour light photoperiod. The light intensity at the water surface was 400 to 800 lux. Daphnia in stock culture were fed with green alga and solution of yeast. At test initiation, dissolved oxygen, temperature, pH, and conductivity ranged from 8.3 to 9.1 mg/L, 19.5 to 20.7 ºC, 6.7 to 7.9 units, and 342 to 348 μS/cm respectively. At test termination, dissolved oxygen, temperature, and pH ranged from 8.3 to 9.1 mg/L, 19.5 to 20.7 ºC, and 7.0 to 7.7 units, respectively. General observations on behavior were made at test initiation, and at 30 minutes and 24 hours of exposure. Based on experimental result, the EC50 value for 24 hrs of N-Methylphthalimide (550-44-7) was determined to be 112 mg/l.
Based on the above predicted data and studies of read across chemicals it can be considered that all the above studies supported the target classification, so based on the results it was considered that all weight of evidences supported the classifications and2-hydroxy-1H-isoindole-1,3(2H)-dione(CAS: 524-38-9) was considered to be non-toxic to aquatic invertebrates andcan be concluded to be not-classified as per the CLP regulations.
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