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EC number: 214-046-6 | CAS number: 1074-82-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide
- Molecular formula: C8 H5 N O2.K
- Molecular weight: 185.223 g/mol
- Smiles notation: c12c(C(=O)[NH-]C1=O)cccc2.[K+]
- InChl: 1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid - Vehicle:
- no
- Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- 265 mg/L as CaCO3
- Test temperature:
- 20 - 21 Dec C
- pH:
- 7.50 - 7.98
- Dissolved oxygen:
7.36 - 8.63 mg/L- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 161 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The short term toxicity on aquatic invertebrates was predicted for potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4). EC50 value was estimated to be161.00mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.As the 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4) was considered being non hazardous to aquatic invertebrates 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 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted forpotassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4). EC50 value was estimated to be161.00mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.As the 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4) was considered being non hazardous to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and "j" )
and ("k"
and (
not "l")
)
)
and "m" )
and "n" )
and ("o"
and "p" )
)
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 carbocyclic
aromatic AND Fused saturated heterocycles AND Imide by Organic
Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aryl AND Fused carbocyclic
aromatic AND Fused saturated heterocycles 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 Miscellaneous sulfide (=S)
or oxide (=O) AND Nitrogen, two or tree olefinic attach [>N-] AND
Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Anion AND Aromatic compound AND
Carbonic acid derivative AND Carboxylic acid derivative AND Cation AND
Heterocyclic compound by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction OR
Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
Side Chain OR Radical OR Radical >> Radical mechanism via ROS formation
(indirect) OR Radical >> Radical mechanism via ROS formation (indirect)
>> Nitroarenes with Other Active Groups 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 >> 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 reduction and nitrenium ion formation OR
SN1 >> Nucleophilic attack after reduction and nitrenium ion formation
>> Nitroarenes with Other Active Groups 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 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: "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 Michael addition OR Michael
addition >> Acid imides OR Michael addition >> Acid imides >> Acid
imides-MA 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
by Protein binding by OECD
Domain
logical expression index: "j"
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: "k"
Referential
boundary: The
target chemical should be classified as Group 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND
Group 16 - Oxygen O by Chemical elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S OR Group 17
- Halogens Br OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "m"
Similarity
boundary:Target:
O=C1c2ccccc2C(=O)N{-}1.K{+}
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "n"
Similarity
boundary:Target:
O=C1c2ccccc2C(=O)N{-}1.K{+}
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.37
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.74
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted forpotassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4). EC50 value was estimated to be161.00mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.As the 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4) was considered being non hazardous to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 161 mg/L
Additional information
Short term toxicity to aquatic invertebrates for potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4) was summarised with two estimated data for target and two experimental study with read across substances N-Methylphthalimide (550-44-7) which has 60-70 % structural similarity with target and N,N’–ethylenebis[N–acetylacetamide] (10543-57-4) which has functionally similar.
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4). EC50 value was estimated to be 161.00mg/L on the basis of mobility for Daphnia magna for 48 hrs duration. As the 1,3-dioxo-1,3-dihydroisoindol-2-ide (CAS no 1074-82-4) was considered being non hazardous to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Prediction using EPI suite, ECOSAR version 1.1, 2017, based on the effects observed in 48 hr exposure. The lethal concentration (LC50) for the 1, 3-dioxo-1, 3-dihydroisoindol-2-ide (CAS no 1074-82-4) was estimated to be 1232.557 mg/l. Hence, 1, 3-dioxo-1, 3-dihydroisoindol-2-ide (CAS no 1074-82-4) was considered being non hazardous to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
A study on read across chemical N-Methylphthalimide (550-44-7) which has 60-70 % structural similarity with target (201-14220 B, Robust summary, 30 December 2002), short term toxicity to aquatic invertebrates 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 EC 50 value for 24 hrs of N-Methylphthalimide (550-44-7) was determined to be 112 mg/l. On the basis of result, the N-Methylphthalimide (550-44-7) was considered to be non- toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Another study on N,N’–ethylenebis[N–acetylacetamide] (10543-57-4)toxicity to aquatic invertebrates was performed in daphnia magna for 24 and 48 hrs. The EC 50 value for Daphnia magna was determined to be >500 and >800 mg/l for N,N’–ethylenebis[N–acetylacetamide] (10543-57-4).Based on the value the N,N’–ethylenebis[N–acetylacetamide](10543-57-4) was considered to be non-toxic to aquatic invertebrates and can be considered to be non-classified as per the CLP regulations.
On the basis of predicted results for toxicity to aquatic invertebrates from target and study from read across all weight of evidences has supported the classification hence it can be considered that 1,3-dioxo-1,3-dihydroisoindol-2-ide(CAS no 1074-82-4)was likely to be non-toxic to aquatic invertebrates at environmentally relevant concentrations and can be considered to be not classified as per the criteria of CLP regulation.
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