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EC number: 604-200-4 | CAS number: 14078-41-2
- 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:
- between 08 January 2009 and 01 April 2009.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do no effect the quality of the relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guidelineopen allclose all
- 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)
- Remarks:
- Date of inspection: 19/08/08 Date of Signature: 04/03/09
Test material
- Reference substance name:
- L17_Precursor
- IUPAC Name:
- L17_Precursor
- Reference substance name:
- 6,6'-di-tert-butyl-4,4'-dimethoxy-[1,1'-biphenyl]-2,2'-diol
- EC Number:
- 604-200-4
- Cas Number:
- 14078-41-2
- Molecular formula:
- C22 H30 O4
- IUPAC Name:
- 6,6'-di-tert-butyl-4,4'-dimethoxy-[1,1'-biphenyl]-2,2'-diol
- Details on test material:
- Sponsor's identification : L17_Precursor
Description : pale yellow powder
Chemical name : 5,5-dimethoxy-3,3’-di-tert-butyl-2,2’-biphenol
CAS number : 14078-41-2
Purity : 93.4%
Batch number : DALA046312
Date received : 11 November 2008
Storage conditions : room temperature in the dark
Constituent 1
Constituent 2
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Preparation:
The buffer solutions were filtered through a 0.2 µm 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.
Preparation of samples:
Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 1 x 10-4 g/l in the three buffer solutions. A 1% co-solvent of acetone was used to aid solubility. These were split into individual vessels for each data point.
The solutions were shielded from light whilst maintained at the test temperature.
Preliminary test:
Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5°C for a period of 120 hours.
Analysis of sample solutions:
The sample solutions were taken from the incubator at various times and the pH of each solution recorded. The concentration of the sample solution was determined by gas chromatography (GC).
Samples:
An aliquot (100 ml) of each sample was extracted with three portions (3 x 25 ml) of dichloromethane which had been used to rinse the sample vessel and aided by ~5 g of sodium chloride, each extract being filtered through anhydrous sodium sulphate. The combined extracts were evaporated to dryness and the residue re-dissolved in acetone (4 ml).
Standards:
Duplicate standard solutions of test material were prepared in acetone at a nominal concentration of 2.5 mg/l.
Matrix blanks
Acetone and 100 ml of the buffer solutions extracted as per the samples. - Buffers:
- Buffer solutions:
(pH) Components Concentration
(mol dm-3)
4 Potassium hydrogen phthalate 0.005
7 Disodium hydrogen orthophosphate (anhydrous) 0.003
Potassium dihydrogen orthophosphate 0.002
Sodium chloride 0.002
9 Disodium tetraborate 0.001
Sodium chloride 0.002
The buffer solutions were filtered through a 0.2 µm 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):
- Calculation:
The mean peak area of each standard was corrected to a nominal concentration of 2.5 mg/l and the mean value taken.
The concentration of the sample solutions (g/l) was calculated using the equation below:
Cspl= Pspl/Pstdx Cstdx D x 1/1000
where:
Cspl = sample concentration (g/l)
Pspl = mean peak area of sample solution
Pstd = mean peak area of standard solution, corrected to nominal standard concentration
Cstd = nominal standard concentration (2.5 mg/l)
D = sample dilution factor (0.04)
Duration of testopen allclose all
- Duration:
- 120 h
- pH:
- 4
- Initial conc. measured:
- 10 g/L
- Duration:
- 120 h
- pH:
- 7
- Initial conc. measured:
- 10 g/L
- Duration:
- 120 h
- pH:
- 9
- Initial conc. measured:
- 10 g/L
- Number of replicates:
- Duplicate aliquots (A and B) of sample solution were diluted by a factor of 100 using glass double-distilled water.
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- Not specified
Results and discussion
- Preliminary study:
- The mean peak heights relating to the standard and sample solutions are shown in table (please see remarks on results including tables and figures section).
- Test performance:
- The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 20 mg/l. This was satisfactory with a correlation coefficient of 0.998 being obtained.
pH Recovery range (%) Mean recovery (%)
4 84.2 to 101 90.9
7 84.4 to 98.1 92.6
9 86.4 to 100 93.2 - Transformation products:
- not specified
Identity of transformation products
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- No significant Hydrolysis observed over all pH levels. Therefore, no degradation products recorded.
- Identifier:
- other:
- Identity:
- No significant Hydrolysis observed over all pH levels. Therefore, no degradation products recorded.
- Details on hydrolysis and appearance of transformation product(s):
- Approximately 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C. at pH 4, 7 and 9
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- other: estimated result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- other: estimated result
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- other: estimated result
- Other kinetic parameters:
- None.
- Details on results:
- At pH 4, 7 and 9 there was less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
Any other information on results incl. tables
Preliminary test/Tier 1:
The mean peak areas relating to the standard and sample solutions are shown in the following table:
Solution |
MeanArea |
Standard 2.94 mg/l |
28.099 |
Standard 2.62 mg/l |
25.072 |
Initial Sample A, pH 4 |
44.896 |
Initial Sample B, pH 4 |
12.995 |
Initial Sample A, pH 7 |
18.563 |
Initial Sample B, pH 7 |
20.527 |
Initial Sample A, pH 9 |
14.635 |
Initial Sample B, pH 9 |
10.890 |
Standard 2.94 mg/l |
28.748 |
Standard 2.62 mg/l |
25.011 |
24 Hour Sample A, pH 4 |
19.556 |
24 Hour Sample B, pH 4 |
23.927 |
24 Hour Sample A, pH 7 |
19.645 |
24 Hour Sample B, pH 7 |
21.501 |
24 Hour Sample A, pH 9 |
15.467 |
24 Hour Sample B, pH 9 |
20.206 |
Standard 2.48 mg/l |
21.970 |
Standard 2.53 mg/l |
22.629 |
120 Hour Sample A, pH 4 |
20.971 |
120 Hour Sample B, pH 4 |
20.223 |
120 Hour Sample A, pH 7 |
19.214 |
120 Hour Sample B, pH 7 |
20.872 |
120 Hour Sample A, pH 9 |
20.500 |
120 Hour Sample B, pH 9 |
10.229 |
The test material concentrations at the given time points are shown in the following tables:
pH 4 at 50.0 ± 0.5ºC
Time (Hours) |
Concentration (g/l) |
% of as weighed in |
||
A |
B |
A |
B |
|
0 |
1.88 x 10-4 |
5.44 x 10-5 |
186 |
54.0 |
24 |
8.10 x 10-5 |
9.91 x 10-5 |
80.4 |
98.4 |
120 |
9.41 x 10-5 |
9.08 x 10-5 |
93.4 |
90.1 |
Result: Approximately10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
pH 7 at 50.0 ± 0.5ºC
Time (Hours) |
Concentration (g/l) |
% of as weighed in |
||
A |
B |
A |
B |
|
0 |
7.77 x 10-5 |
8.59 x 10-5 |
77.1 |
85.3 |
24 |
8.14 x 10-5 |
8.90 x 10-5 |
80.8 |
88.4 |
120 |
8.62 x 10-5 |
9.37 x 10-5 |
85.6 |
93.0 |
Result: Approximately 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
pH 9 at 50.0 ± 0.5ºC
Time (Hours) |
Concentration (g/l) |
% of as weighed in |
||
A |
B |
A |
B |
|
0 |
6.12 x 10-5 |
4.56 x 10-5 |
60.8 |
45.2 |
24 |
6.41 x 10-5 |
8.37 x 10-5 |
63.6 |
83.1 |
120 |
9.20 x 10-5 |
4.59 x 10-5 |
91.4 |
45.6* |
Result: Approximately 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C
*The assessment of stability at 120 hours was not based on this sample. See the discussion below.
Discussion:
Due to problems encountered during testing, the test sample results were erratic. Investigative work showed that test material adsorbed to the test vessel’s surface; as test material was detected in dichloromethane washes of the test vessels. The test vessel washing procedure was used for all samples during the test and involved rinsing with the dichloromethane before being used for sample extraction. The test sample results may still have been more variable compared to the recoveries due to the test samples being prepared as a stock solution and sub-sampled exposing the test material to a greater surface area to adsorb to; compared to the recovery sample preparation method.
It has been considered, based predominantly on the 120 hour results, that the test material did not undergo significant hydrolysis at 50°C in all pHs. The 120 hour results did approximate to the ‘as weighed in’ concentration (besides pH 9 sample B) if the recovery percentage was taken into account. The results also showed there was no indication of a decrease in concentration in the 96 hour period from the 24 hour samples to the 120 hour samples, again suggesting the test material was stable. The reason for the high result for pH 4 sample A was uncertain, but may have been due to a co-eluting peak.
The functional groups within the test material were phenyl alcohols and ethers. Neither of these was considered to be hydrolytically unstable under environmentally relevant conditions.
No significant peaks were observed at the approximate retention time of the test material on analysis of any matrix blank solutions.
As the test material was determined to be hydrolytically stable under acidic conditions (t½ > 1 year at 25°C) no additional testing was performed at pH 1.2, 37.0 ± 0.5°C.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The estimated half-life at 25°C of the test material are shown in the table below:
pH Estimated half-life at 25°C
4 >1 year
7 >1 year
9 >1 year - Executive summary:
Method
The determination was carried out using Method C7 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC), Method 111 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Conclusion.
The estimated half-life at 25°C of the test material are shown as follows:
pH
Estimated half-life at 25°C
4
>1 year
7
>1 year
9
>1 year
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