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Diss Factsheets
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EC number: 207-821-5 | CAS number: 496-46-8
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- 1. SOFTWARE
Estimation Programme Interface (EPI) Suite programme for Microsoft Windows v4.11.
Contact EPISuite:
U.S. Environmental Protection Agency
1200 Pennsylvania Ave.
N.W. (Mail Code 7406M)
Washington, DC 20460
2. MODEL (incl. version number)
HYDROWIN v2.00.
September 2010 (model development); November 2012 (model publication).
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See QPRF attached: ‘QPRF Title: Substance: Perhydroimidazo[4,5-d]imidazole-2,5-dione using the model HYDROWIN v2.00: for the endpoint: Hydrolysis’ version 1.0; 10 April 2018.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Full details of the method are provided in the attached QMRF named ‘QMRF Title: HYDROWIN v2.00 for the endpoint: Hydrolysis’ version 1.0; Date: 01 April 2018; updated 24 April 2018.
5. APPLICABILITY DOMAIN
See ‘any other information on results incl. tables’.
See attached QPRF attached: ‘QPRF Title: Substance: Perhydroimidazo[4,5-d]imidazole-2,5-dione using the model HYDROWIN v2.00: for the endpoint: Hydrolysis’ version 1.0; 10 April 2018.
6. ADEQUACY OF THE RESULT
1) QSAR model is scientifically valid. 2) The substance falls within the general properties and mechanistic applicability domains, with limited applicability of the structural domain of the QSAR model (although all constituents > 80% correctly predicted ACF). Expert judgement considers the results reliable and relevant and the results are consistent with established literature. 3) The results are adequate when taken under consideration of REACH Regulation (EC) 1907/2006 in a weight of evidence as indicated in REACH Regulation (EC) 1907/2006: Annex XI Section 1.3. Specifically, when combined with further information, details of which are available. - Reason / purpose for cross-reference:
- assessment report
- Guideline:
- other: REACH Guidance on QSARs R.6, May/July 2008
- Principles of method if other than guideline:
- Full details of the method are provided in the attached QMRF named ‘QMRF Title: HYRDOWIN v2.00 for the endpoint: Hydrolysis’ version 1.0; Date: 01 April 2018; updated 24 April 2018.
- Specific details on test material used for the study:
- Detailed information on the 'test material identity' is provided in the attached QSAR Prediction Reporting Format (QPRF) document including information on individual constituents.
- Transformation products:
- no
- Remarks:
- Based on the (Q)SAR output no transformation output are expected to generate until after >1 year of introduction of the test substance in water.
- Details on hydrolysis and appearance of transformation product(s):
- Not applicable, no transformation products were identified.
- Key result
- Type:
- other: (Q)SAR predition value.
- Remarks on result:
- other: >1 year
- Remarks:
- The substance has been shown to be hydrolytically stable with a half-life of >1 year.
- Details on results:
- See QPRF attached: ‘QPRF Title: Substance: Perhydroimidazo[4,5-d]imidazole-2,5-dione using the model HYDROWIN v2.00: for the endpoint: Hydrolysis’ version 1.0; 10 April 2018.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The results are adequate for the regulatory purpose.
- Executive summary:
HYDROWIN v2.00 (model publication: November 2012)
Transformation products: Not expected; >1 year.
Adequacy of the QSAR:
1) QSAR model is scientifically valid. 2) The substance falls within the general properties and mechanistic applicability domains, with limited applicability of the structural domain of the QSAR model (although all constituents > 80% correctly predicted ACF). Expert judgement considers the results reliable and relevant and the results are consistent with established literature. 3) The results are adequate when taken under consideration of REACH Regulation (EC) 1907/2006 in a weight of evidence as indicated in REACH Regulation (EC) 1907/2006: Annex XI Section 1.3. Specifically, when combined with further information, details of which are available.
Reference
1. Defined Endpoint:
QMRF 2. Hydrolysis
QMRF 2.1.a Persistence: Abiotic degradation in water: Hydrolysis
Reference to type of model used and description of results:
HYDROWIN v2.00; integrated within the Estimation Programme Interface (EPI) Suite programme for Microsoft Windows v4.11; September 2010 (model development); November 2012 (model publication).
2. Description of results and assessment of reliability of the prediction:
The predicted values are provided within the QPRF attached: ‘QPRF Title: Substance: Perhydroimidazo[4,5-d]imidazole-2,5-dione using the model HYDROWIN v2.00: for the endpoint: Hydrolysis’ version 1.0; 10 April 2018. The results of the hydrolysis predictions is not applicable since the test item is not expected to be readily hydrolytic in water.
Assessment of the substance within the applicability domains recommended by the developers is documented within the corresponding QMRF named ‘QMRF Title: HYRDOWIN v2.00 for the endpoint: Hydrolysis’ version 1.0; Date: 01 April 2018; updated 24 April 2018 – section 5; indicates the substance (constituents):
(i) All constituents fall within the Descriptors Domain (general properties, Molecular Weight range, Log Pow, Water Solubility).
(ii) All constituents fall within the mechanistic domain of the model.
3. Uncertainty of the prediction and mechanistic domain:
External validation has not been performed on the model (see QMRF: section 7).
Internal validation has been perfomed:
To be effective an estimation model must be capable of making accurate predictions for chemicals not included in the training set. Currently, HYDROWIN warns the operator when it encounters structures not found in its training set. Minimal testing and reviewing indicates that the method accuracy drops in these situations, but may still be acceptable or qualitatively correct (Millet et al., 1987).
The HYDROWIN model is based on the thermodynamic relationship between surrogate chemical structure (atom or group contribution) fragments and their chemical activity. The model includes data for several hundred structures, including substitution reaction constants and reaction-type constants. These, along within substructure steric and polar correction factors, are used to predict hydrolytic activity. In order to improve the model additional substances could be added to the model; new fragments and substructure corrections introduced.
Description of key information
The substance is stable in aqueous solution; hydrolysis is not seen and is not predicted based on a theoretical assessment of the structure of the molecule. HYDROWIN within EpiSuite (v4.11) has provided a prediction of >1 year and as such the substance is not considered to be readily hydrolytic in water.
Key value for chemical safety assessment
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.