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Diss Factsheets
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EC number: 217-793-6 | CAS number: 1955-46-0
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- HYDROWIN Program (v2.00) from EPI Suite estimation database
- GLP compliance:
- not specified
- Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Estimation method (if used):
- HYDROWIN v2.00
- Positive controls:
- not specified
- Negative controls:
- not specified
- Transformation products:
- not specified
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 10.315 d
- Type:
- other: estimated data
- Remarks on result:
- other: Hydrolysis rate constant of test chemical was estimated to be 7.777 L/mol-sec
- Key result
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 1.032 d
- Type:
- other: estimated data
- Remarks on result:
- other: Hydrolysis rate constant of test chemical was estimated to be 7.777 L/mol-sec
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated half-life of test chemical was evaluated to be 10.315 days at pH 7.0 and 1.032 days at pH 8.0 (at 25ᵒC) respectively. Thus, based on half-life value (at pH 7.0), it indicates that the test chemical is not hydrolysable in water.
- Executive summary:
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was evaluated to be 10.315 days at pH 7.0 and 1.032 days at pH 8.0 (at 25ᵒC) respectively. Thus, based on half-life value (at pH 7.0), it indicates that the test chemical is not hydrolysable in water.
Reference
HYDROWIN Program (v2.00) Results:
================================
SMILES : O=C(OC)c(cc(N(=O)(=O))cc1C(=O)O)c1
CHEM : 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester
MOL FOR: C9 H7 N1 O6
MOL WT : 225.16
--------------------------- HYDROWIN v2.00 Results ---------------------------
ESTER: R1-C(=O)-O-R2 R1: -Phenyl [2 frags]
meta: -NO2
meta: -CO-OH
R2: -CH3
Kb hydrolysis at atom # 2: 7.777E+000 L/mol-sec
Total Kb for pH > 8 at 25 deg C : 7.777E+000 L/mol-sec
Kb Half-Life at pH 8: 1.032 days
Kb Half-Life at pH 7: 10.315 days
Description of key information
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was evaluated to be 10.315 days at pH 7.0 and 1.032 days at pH 8.0 (at 25ᵒC) respectively. Thus, based on half-life value (at pH 7.0), it indicates that the test chemical is not hydrolysable in water.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 10.315 d
- at the temperature of:
- 25 °C
Additional information
HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was evaluated to be 10.315 days at pH 7.0 and 1.032 days at pH 8.0 (at 25ᵒC) respectively. Thus, based on half-life value (at pH 7.0), it indicates that the test chemical is not hydrolysable in water.
Hydrolysis endpoint can also be considered for waiver as per in accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable in water.
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.