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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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite model developed by the USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using KOCWIN Program (v2.00)
- GLP compliance:
- not specified
- Type of method:
- other: MCI Method
- Media:
- soil
- Specific details on test material used for the study:
- - Name of the test material: N-Hydroxyphthalimide
- IUPAC name: 2-hydroxy-1H-isoindole-1,3(2H)-dione
- Molecular formula: C8H5NO3
- Molecular Weight: 163.132 g/mol
- Substance type: Organic
- Smiles: c12c(C(=O)N(C1=O)O)cccc2 - Radiolabelling:
- not specified
- Test temperature:
- 25 deg.C
- Analytical monitoring:
- not specified
- Key result
- Type:
- Koc
- Value:
- 10 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc=1 (estimated by MCI method)
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Soil Adsorption Coefficient i.e Koc value of 2-hydroxy-1H-isoindole-1,3(2H)-dione was estimated using EPI suite KOCWIN (v2.00) as Koc 10 L/kg (log Koc = 1) by means of MCI method at 25 deg.C.
- Executive summary:
The Soil Adsorption Coefficient i.e Koc value of 2-hydroxy-1H-isoindole-1,3(2H)-dione was estimated using EPI suite KOCWIN (v2.00) as Koc 10 L/kg (log Koc = 1) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2-hydroxy-1H-isoindole-1,3(2H)-dione has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Reference
KOCWIN Program (v2.00) Results:
==============================
SMILES : O=C(N(O)C(=O)c1cccc2)c12
CHEM : 1H-Isoindole-1,3(2H)-dione, 2-hydroxy-
MOL FOR: C8 H5 N1 O3
MOL WT : 163.13
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 5.715
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.5791
Fragment Correction(s):
2 Misc (C=O) Group (aliphatic attach).... : -3.2093
Corrected Log Koc .................................. : 0.3698
Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000
Estimated Koc: 10 L/kg <===========
Description of key information
The Soil Adsorption Coefficient i.e Koc value of 2-hydroxy-1H-isoindole-1,3(2H)-dione was estimated using EPI suite KOCWIN (v2.00) as Koc 10 L/kg (log Koc = 1) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2-hydroxy-1H-isoindole-1,3(2H)-dione has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 10
Additional information
Four different predicted data from validated models and experimental data from authorative database for adsorption (KOC) endpoint of test substance 2-hydroxy-1H-isoindole-1,3(2H)-dione (Cas no. 524-38-9) with relevant read across which is structurally similar to target were summarized as follows:
First estimation using KOCWIN model (v2.00) of EPI suite indicated the Soil Adsorption Coefficient i.e Koc value of 2-hydroxy-1H-isoindole-1,3(2H)-dione as Koc 10 L/kg (log Koc = 1) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2-hydroxy-1H-isoindole-1,3(2H)-dione has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Another prediction model for target i.e Chemspider - ACD/PhysChem Suite suggest the soil adsorption coefficient i.e Koc value of test substance 2-hydroxy-1H-isoindole-1,3(2H)-dione was estimated to be 44.58 (log koc: 1.64 ) at pH 5.5 and temp.25 deg.C this Koc value at 5.5 pH indicates that the substance 2-hydroxy-1H-isoindole-1,3(2H)-dione has negligible sorption to soil and sediment and therefore have rapid to moderate migration potential to groundwater.
Above both results are supported by another prediction database Scifinder, which indicated the soil adsorption coefficient i.e Koc value of test substance 2-hydroxy-1H-isoindole-1,3(2H)-dione was estimated to be 130-131 (Log koc: 2.11) at pH 1-4; 121 (Log koc: 2.08) at pH 5; 73.0 (Log koc:1.86) at pH 6 and 14.7 (Log koc:1.16) at temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 2-hydroxy-1H-isoindole-1,3(2H)-dionehas negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to groundwater.
Experimental data of read across chemical Phthalimide (Cas no. 85-41-6) give assistance to all three predicted results of target. The result suggest the Koc of phthalimide is estimated as approximately 100, using an experimental log Kow of 1.15 and a regression derived equation.This estimated Koc value suggests that phthalimide should have moderate to high mobility in soil.
Thus all above available values for adsorption (log KOC) is in the range of 1 to 2.11 (L/kg or dimensionless) which concluded that the target substance 2-hydroxy-1H-isoindole-1,3(2H)-dione (Cas no. 524-38-9) is expected to have high mobility in soil and sediment compartment.
[LogKoc: 1.0]
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