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EC number: 613-198-4 | CAS number: 63302-43-2
- 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
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 May 1996 to 19 August 1996.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study conducted according to OECD Guideline with GLP certificate.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- N1-(5-methylhexan-2-yl)benzene-1,4-diamine
- Cas Number:
- 63302-43-2
- Molecular formula:
- C13H22N2
- IUPAC Name:
- N1-(5-methylhexan-2-yl)benzene-1,4-diamine
- Details on test material:
- Sponsor's identification: TRAE
Description: Very dark purple solid block
Label: Distilled TRAE Y-775 Jan30, 96 Naugatuck Rhyang
Date received: 22 April 1996
Storage conditions: Room temperature
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable - Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- The concentration of the sample solution was determined by (HPLC).
Samples:
Duplicate aliquots (A and B) of sample solutions were diluted to contain acetonitrile:buffer solution (50:50).
pH 1.2: dilution factor of 5 (pH 9 buffer solution was included in the dilution)
pH 4: dilution factor of 2
pH 7: dilution factor of 2
pH 10: dilution factor of 2
Standards
Duplicate standard solutions (A and B) were prepared in acetonitrile:buffer solution (50:50) at nominal concentrations of 2.5 and 1 mg/l. - Buffers:
- Buffer solution 1.2: Potassium chloride 0.05 mol dm-3, Hydrochloric acid 0.06 mol dm-3
Buffer solution 4: Sodium hydroxide 0.10 mol dm-3, Hydrochloric acid 0.05 mol dm-3
Buffer solution 7: Disodium hydrogen orthophosphate 0.04 mol dm-3, Potassium dihydrogen orthophosphate 0.03 mol dm-3
Buffer solution 9: Disodium tetraborate 0.05 mol dm-3, Hydrochloric acid 0.02 mol dm-3
The buffer solutions were filtered through a 0.2 um membrane filter to ensure they were sterile before commencement of the test. Also these solutions were subjected to ultrasonication and degassing with nitrogen to minimise dissolved oxygen content. - Estimation method (if used):
- Not applicable
- Details on test conditions:
- Preparation of samples
Sample solutions were prepared in stoppered glass flasks at nominal concentrations of 5 x 10-3 g/l in the pH 4, 7 and 9 buffer solutions.
The solutions were shielded from light.
Preliminary Test
The sample solutions were maintained at 50.0 + 0.5'C and the concentrations monitored by high performance liquid chromatography (HPLC).
Test 3
Results from the Preliminary Test showed it necessary to undertake further testing
at pH 4 at 25'C and pH 1.2 at 37'C.
Duration of testopen allclose all
- Duration:
- 72 h
- pH:
- 1.2
- Initial conc. measured:
- 0.005 g/L
- Duration:
- 22 h
- pH:
- 4
- Initial conc. measured:
- 0.005 g/L
- Duration:
- 169 h
- pH:
- 4
- Initial conc. measured:
- 0.005 g/L
- Duration:
- 2.4
- pH:
- 7
- Initial conc. measured:
- 0.005 g/L
- Duration:
- 2.4 h
- pH:
- 9
- Initial conc. measured:
- 0.005 g/L
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- A graph of the common logarithm of the concentration (g/l) versus time (hours) was plotted for pH 4 and pH 1.2 and the rate constant and half life calculated.
Results and discussion
- Preliminary study:
- pH: 4 Temperature: 50.0 ± 0.5 degrees C:
Time = 0 h: concentration = 0.00476 g/L (100% of initial)
Time = 2.4 h: concentration = 0.00448 g/L (94% of initial)
The extent of hydrolysis indicated that further tests (Test 3), conducted at 25 degrees C at pH 4 and 37 degrees C at pH 1.2, were required.
pH 7 Temperature: 50.0 ± 0.5 degrees C:
Time = 0 h: concentration = 0.00475 g/L (100% of initial)
Time = 2.4 h: concentration = <0.0000798 g/L (<2% of initial)
Greater than 50% hydrolysis after 2.4 hours at 50 degrees C, equivalent to a half life of less than 1 day at 25'C.
pH: 9 Temperature: 50.0 ± 0.5 degrees C:
Time = 0 h: concentration = 0.00491 g/L (100% of initial)
Time = 2.4 h: concentration = 0.0000722 g/L (<2% of initial)
Greater than 50% hydrolysis after 2.4 hours at 50 *C, equivalent to a half life of less than 1 day at 25'C. - Test performance:
- No data
- Transformation products:
- not measured
- Details on hydrolysis and appearance of transformation product(s):
- Transformation products were not measured.
See below for details of hydrolysis.
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 1.2
- Temp.:
- 37 °C
- Hydrolysis rate constant:
- 0.025 h-1
- DT50:
- 27.9 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.006 h-1
- DT50:
- 112 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- < 1 d
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- < 1 d
- Other kinetic parameters:
- None measured
- Details on results:
- See tables below and document attached under background information.
Any other information on results incl. tables
pH: 1.2, Temperature: 37.0 ± 0.5 degrees C
Time (hours) |
0 |
4.5 |
29 1/4 |
72 |
Concentration (g/l) |
0.00496 |
0.00487 |
0.00251 |
0.000866 |
Log10 [concentration (g/l)] |
-2.31 |
-2.31 |
-2.6 |
-3.06 |
% of initial |
100 |
98 |
51 |
17 |
pH: 4 Temperature: 25.0 ± 0.5 degrees C
Time (hours) |
0 |
3 |
73 |
121 |
169 |
Concentration (g/l) |
0.00453 |
0.00442 |
0.003 |
0.00229 |
0.00154 |
Log10 [concentration (g/l)] |
-2.34 |
-2.36 |
-2.52 |
-2.64 |
-2.81 |
% of initial |
100 |
99.7 |
66.4 |
50.7 |
34.1 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The hydrolysis rate constants and half-lives of TRAE are as follows:
pH 1.2, temp 37 degrees C: rate constant = 0.0248 h-1, half-life = 27.9 hours
pH 4, temp 25 degrees C: rate constant = 0.00616 h-1, half-life = 112 hours
pH 7, temp 25 degrees C: half-life < 1 day
pH 9, temp 25 degrees C, half-life < 1 day - Executive summary:
The hydrolysis of the test substance was evaluated in accordance with OECD Guideline 111.
The hydrolysis rate constants and half-lives of TRAE are as follows:
pH 1.2, temp 37 degrees C: rate constant = 0.0248 h-1, half-life = 27.9 hours
pH 4, temp 25 degrees C: rate constant = 0.00616 h-1, half-life = 112 hours
pH 7, temp 25 degrees C: half-life
pH 9, temp 25 degrees C, half-life
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