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EC number: 951-985-7 | CAS number: -
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental Phase: 14 June 2020 to 05 September 2020.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Analytical monitoring:
- yes
- Duration:
- 120 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.001 g/L
- Remarks:
- Tier 1 Test
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.001 g/L
- Remarks:
- Tier 1 Test
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.001 g/L
- Remarks:
- Tier 1 Test
- Duration:
- 6 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.001 g/L
- Remarks:
- Tier 2 Test
- pH:
- 4
- Temp.:
- 60 °C
- Initial conc. measured:
- 0.001 g/L
- Remarks:
- Tier 2 Test
- Duration:
- 3.5 h
- pH:
- 4
- Temp.:
- 60 °C
- Initial conc. measured:
- 0.001 g/L
- Remarks:
- Tier 2 Test
- Number of replicates:
- Duplicate samples for each pH.
- Preliminary study:
- The extent of hydrolysis after 24 and 120 hours at pH 4 at 50 °C indicated that a further test (Tier 2) was required to estimate the rate constant and half-life at 25 °C.
- Transformation products:
- not measured
- Remarks:
- As the test item contains three hydrolysable, amide functional groups, the hydrolysis products were considered to be, ultimately, anthranilic acid (2-aminobenzoic acid) (CAS #: 118-92-3) and 4-aminomethyl-1,8-octanediamine (CAS #: 1572-55-0).
- Details on hydrolysis and appearance of transformation product(s):
- As the test item contains three hydrolysable, amide functional groups, the hydrolysis products were considered to be, ultimately, anthranilic acid (2-aminobenzoic acid) (CAS #: 118-92-3) and 4-aminomethyl-1,8-octanediamine (CAS #: 1572-55-0).
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.042 h-1
- DT50:
- 16.3 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Validity criteria fulfilled:
- yes
- Conclusions:
- The estimated half-life at 25 °C of the test item at pH4 is 16.3 hours and >1 year at pH 7 and 9.
- Executive summary:
Introduction
The hydrolysis as a function of pH of N,N'-(2-(4-(2-aminobenzamido)butyl)pentane-1,5-diyl)bis(2-aminobenzamide) was determined using a procedure designed to be compatable with the following guidelines:
-
Method 111 of the OECD Guidelines for
Testing of Chemicals, 13 April 2004
- Method C.7 Abiotic Degradation, Hydrolysis as a Function of pH of Commission Regulation (EC) No. 440/2008 of 30 May 2008
Method
Preparation of the Test Solutions
Stock solutions of test item were prepared at a nominal concentration of 1.0 mg/L in the three buffer solutions; a 1% co-solvent of tetrahydrofuran was used to aid solubility. The stock solutions were split into individual glass vessels, sealed with minimal headspace, for each data point. These sample solutions were shielded from light whilst maintained at the test temperature.
Preliminary Test/Tier 1
Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5 °C for a period of 120 hours.
Tier 2 Testing
Results from the Preliminary test/Tier 1 showed it was necessary to undertake further testing at pH 4.
Analysis of the Sample Solutions
Duplicate sample solutions were taken at various time points. The pH of each solution recorded. The concentration of test item in the sample solutions was determined by high performance liquid chromatography (HPLC).
Samples
An aliquot of each sample solution was diluted by a factor of two using tetrahydrofuran.
Standards
Duplicate standard solutions of test item were prepared in tetrahydrofuran: high purity water (50:50 v/v) at a nominal concentration of 0.5 mg/L.
Matrix blanks
Tetrahydrofuran: relevant buffer solution (50:50 v/v) Standard blank Tetrahydrofuran: high purity water (50:50 v/v)
The standard and sample solutions were analysed by HPLC.
Results
The results of the analysis for hydrolysis as a function of pH are given in the following table:
pH Estimated Rate Constant at 25 °C (hr-1)
Estimated Half-Life
at 25 °C4 4.24 x 10-2 16.3 hours 7 - > 1 year 9 - > 1 year Conclusion
The estimated half-life at 25 °C of the test item at pH4 is 16.3 hours and >1 year at pH 7 and 9.
-
Method 111 of the OECD Guidelines for
Testing of Chemicals, 13 April 2004
Reference
Tier 2 Test Results
The Arrhenius plot was constructed using the data shown in the following table:
pH 4 Arrhenius Data (Tier 2 Test)
Temperature (ºC) | Temperature (K) | 1/ (T(K)) | kobs (hr-1) | ln kobs |
30 | 303.15 | 0.0033 | 0.0556 | -2.89 |
50 | 323.15 | 0.0031 | 0.188 | -1.67 |
60 | 333.15 | 0.003 | 0.267 | -1.32 |
From a graph of the above data, the rate constant and half-life at 25 °C have been estimated to be as follows:
k = 4.24 x 10-2 hour-1
t½= 16.3 hours
Description of key information
Hydrolysis as function of pH data summary.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 yr
- at the temperature of:
- 25 °C
Additional information
The estimated half-life at 25 °C of the test item at pH4 is 16.3 hours and >1 year at pH 7 and 9.
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