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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
Endpoint summary
Administrative data
Description of key information
The skin sensitization potential of potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was predicted to be non sensitizing to the skin of female CBA guinea pig.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Remarks:
- 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 QSAR toolbox version 3.3.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Principles of method if other than guideline:
- Prediction of Skin Sensitisation is done by using QSAR Toolbox 3.3version.
- GLP compliance:
- not specified
- Type of study:
- mouse local lymph node assay (LLNA)
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Phthalimide, potassium salt
- Molecular formula : C8H5NO2.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 - Species:
- mouse
- Strain:
- CBA
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
20 females, nulliparous and non-pregnant
5 females per group.
Young animals adults were selected (approx. 9 weeks old), with body weight variation within +/- 20% of the sex mean.
Animals had free access to tap water and to pelleted rodent diet.
ENVIRONMENTAL CONDITIONS
15 air changes per hour
temperature of 21.0 +/- 3°C
humidity range : 40-70%
12/12 hours dark/light. - Vehicle:
- dimethylformamide
- Concentration:
- group animal numbers induction (test substance ; % w:w)
1 01-05 0 (DMF)
2 06-10 10
3 11-15 25
4 16-20 50 - No. of animals per dose:
- Five animals per dose
- Details on study design:
- Induction : the dorsal surface of both ears was topically treated (25µL/ear) with the test substance concentration, at approx. the same time on each day. The concentrations were stirred with a magnetic stirrer immediately prior to dosing.
The contro animals were treated in the same way as the experimental animals, except that the vehicle was administered instead of the test substance. - Positive control substance(s):
- not specified
- Statistics:
- No data available.
- Parameter:
- SI
- Test group / Remarks:
- No skin sensitization effect was observed.
- Remarks on result:
- other: Not sensitizing
- Interpretation of results:
- other: Negative
- Conclusions:
- Skin sensitization potential of potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was estimated by using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was predicted to be non sensitizing to the skin of female CBA guinea pig.
- Executive summary:
Skin sensitization potential of potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was estimated by using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was predicted to be non sensitizing to the skin of female CBA guinea pig.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 7 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 (
not "o")
)
)
and ("p"
and "q" )
)
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
OECD
Domain
logical expression index: "g"
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 >>
Hydroquinones OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium
Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium Ion
formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >>
Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion
formation >> Aromatic phenylureas OR SN1 >> Nitrenium Ion formation >>
Primary aromatic amine OR SN1 >> Nitrenium Ion formation >> Unsaturated
heterocyclic azo OR SN2 OR SN2 >> SN2 at an sp3 Carbon atom OR SN2 >>
SN2 at an sp3 Carbon atom >> Phosphates by DNA binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 OR Non
binder, non cyclic structure OR Strong binder, OH group OR Very strong
binder, OH group by Estrogen Receptor Binding
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 Michael addition OR Michael
addition >> Acid imides OR Michael addition >> Acid imides >> Acid
imides-MA OR SN2 OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2
reaction at a sulphur atom >> Disulfides by Protein binding by OECD
Domain
logical expression index: "l"
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: "m"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert by Repeated dose (HESS)
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 <= 1.3
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
In different studies, 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) has been investigated for potential for dermal sensitization to a greater or lesser extent. The prediction and studies are based on in vivo experiments in guinea pig for target chemical disodium 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) and in vitro experimental study on human on its structurally similar read across substances 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)- (17796-82-6). The predicted data using the OECD QSAR toolbox have also been compared with the experimental data of read across substance.
The skin sensitization potential of potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) was predicted to be non sensitizing to the skin of female CBA guinea pig.
It is supported by experimental data conducted by U.S. Environmental Protection Agency. (HighProduction Volume (HPV) Challenge Program; 2016) on structurally similar read across substance 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)- (17796-82-6)on Human .The read across substances share high similarity in structure and log kow .Therefore, it is acceptable to derive information on skin sensitization from the analogue substance. In vitro Shelanski Repeated Insult Patch Test was performed on human subjects to observe the skin sensitizing effects of 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-. Patches 1" square of the rubber stock were applied to the skin of 53 human volunteers and left in place for 24 hours. Readings were taken at the end of 24 hours, and the sites were rested for an additional 24 hours. Patches were reapplied and read again after 24 hours. Fifteen such applications were used. A 10-day rest period followed, and then the challenge application was applied for 24 hours. No positive reactions were observed following the initial application, any subsequent application or after the challenge application. Only mild cumulative irritation was observed in this study. The level used in this study, 2 parts per hundred rubber (2 phr) is about five times higher than what is normally used in compounded rubber stocks. Therefore 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)- was considered to be non sensitizing in Human by in vitro Shelanski Repeated Insult Patch Test
Thus based on the above predictions on1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) as well as its read across substances and applying weight of evidence, it can be concluded that 1,3-dioxo-1,3-dihydroisoindol-2-ide is not a skin sensitizer. Thus comparing the above annotations with the criteria of CLP regulation, 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) can be considered as not classified for skin sensitization effects.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Thus comparing the above annotations with the criteria of CLP regulation, 1,3-dioxo-1,3-dihydroisoindol-2-ide (1074-82-4) can be considered as not classified for skin sensitization effects.
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