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EC number: 217-886-1 | CAS number: 1999-85-5
- 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:
- 2012
- 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:
- yes
- Remarks:
- see "Principles of method if other than guideline"
- Principles of method if other than guideline:
- The two principle components of the test item were used as tracer peaks for determination of rate of hydrolysis.
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- OECD Guideline 111 states that the test should be performed at a concentration that will not exceed either 10-2 M of the test substance, or half the saturation concentration. Sponsor supplied information indicates the test item to have a water solubility of >1 g/L. Given the molar mass of the principle components of m/p-Diol is 194 g/mol, the predicted average concentration at 10-2 M was calculated to be ca 1.94 g/L. Therefore the test was performed at ca 0.1 g/L.
Triplicate samples of m/p-Diol, in each of pH 4, 7 and 9 buffers, were prepared on four consecutive time points (5, 1, 0.1 and 0 days prior to analysis). Approximately 100 mg of test item was weighed into a 100 mL volumetric flask and made to volume with Milli-Q water. To separate 15 mL amber, glass bottles were pipetted 1 mL of stock solution. This was performed in triplicate for each pH level at each timepoint.
Sample sets were diluted with 9 mL of respective buffer (pH 4, 7 and 9). The headspace of the test vessels were purged with nitrogen gas then test vessels were capped, sealed with parafilm, shaken thoroughly and placed in a water bath maintained at 50 ± 0.5 °C. Sample sets were kept covered, to avoid photolytic effects, in the water bath for 5, 1, 0.1 and 0 days, respectively.
Following hydrolysis, the pH of each sample was measured and aliquots taken for analysis as described in the analytical method. - Buffers:
- Aqueous pH 4 buffer was prepared such that the final solution contained ca 0.4 mM sodium hydroxide and ca 50 mM potassium biphthalate in a 1 L flask. The pH of the buffer used was 3.99. It was purged with nitrogen gas to remove dissolved oxygen.
Aqueous pH 7 buffer solution was prepared such that the final solution contained ca 30 mM sodium hydroxide and ca 50 mM monopotassium phosphate in a 1 L flask. The pH of the buffer used was 6.99. It was purged with nitrogen gas to remove dissolved oxygen.
Aqueous pH 9 buffer solution was prepared such that the final solution contained ca 21 mM sodium hydroxide, ca 50 mM monopotassium chloride and ca 50 mM boric acid in a 1 L flask. The pH of the buffer used was 8.98. It was purged with nitrogen gas to remove dissolved oxygen. - Details on test conditions:
- See "details in sampling"
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50
- Initial conc. measured:
- 0.1 g/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50
- Initial conc. measured:
- 0.1 g/L
- Duration:
- 5
- pH:
- 9
- Temp.:
- 50
- Initial conc. measured:
- 0.1 g/L
- Number of replicates:
- Triplicate samples of m/p-Diol, in each of pH 4, 7 and 9 buffers, were prepared on four consecutive time points (5, 1, 0.1 and 0 days prior to analysis)
- Positive controls:
- no
- Negative controls:
- no
- Transformation products:
- no
- % Recovery:
- 91.4 - 100.3
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 0.1 - 5 d
- % Recovery:
- 98.4 - 107.7
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 0.1 - 5 d
- % Recovery:
- 97.9 - 107.2
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 0.1 - 5 d
- pH:
- 4
- Temp.:
- 50 °C
- DT50:
- > 1 yr
- Type:
- not specified
- pH:
- 7
- Temp.:
- 50 °C
- DT50:
- > 1 yr
- Type:
- not specified
- pH:
- 9
- Temp.:
- 50 °C
- DT50:
- > 1 yr
- Type:
- not specified
- Details on results:
- Aqueous pH 4 Buffer
The hydrolysis of m/p-Diol was assessed in aqueous pH 4 buffer at 50 ± 0.5 °C. The mean recovery of the applied test item, remaining after 0, 0.1, 1 and 5 days was determined to be 91.4, 100.3, 100.3 and 99.5%, respectively. Therefore, after 5 days the test item was shown to have hydrolysed by less than 10% (equivalent to half-life 25°C >1 year). This indicated that the test item was hydrolytically stable at pH 4 and significant hydrolysis had not occurred.
Aqueous pH 7 Buffer
The hydrolysis of m/p-Diol was assessed in aqueous pH 7 buffer at 50 ± 0.5 °C. The mean recovery of the applied test item, remaining after 0, 0.1, 1 and 5 days was determined to be 98.4, 107.7, 107.4 and 107.7%, respectively. Therefore, after 5 days the test item was shown to have hydrolysed by less than 10% (equivalent to half-life 25°C >1 year). This indicated that the test item was hydrolytically stable at pH 7 and significant hydrolysis had not occurred.
Aqueous pH 9 Buffer
The hydrolysis of m/p-Diol was assessed in aqueous pH 9 buffer at 50 ± 0.5 °C. The mean recovery of the applied test item, remaining after 0, 0.1, 1 and 5 days was determined to be 97.9, 107.2, 106.1 and 100.7%, respectively. Therefore, after 5 days the test item was shown to have hydrolysed by less than 10% (equivalent to half-life 25°C >1 year). This indicated that the test item was hydrolytically stable at pH 9 and significant hydrolysis had not occurred.
Details are shown in tables hereafter. - Validity criteria fulfilled:
- yes
- Remarks:
- see conclusions
- Conclusions:
- Quality criteria:
* Recovery:
Recoveries should range from 90 % to 110 % for labeled and non-labelled chemicals. In case it is technically difficult to reach this range, a recovery of 70 % for non-labelled chemicals is acceptable, but justification should be given. In the present study, recoveries range between 91 and 108% (Mean Determined Recovery of triplicates) - Executive summary:
The hydrolysis of m/p diol was evaluated in a study performed in accordance with OECD testing guideline 111 and GLP requirements. The two principle components of the test item were used as tracer peaks for determination of rate of hydrolysis.
The hydrolysis of m/p-Diol was assessed in aqueous buffers at pH 4, 7 and 9 at 50 ± 0.5 °C. After 5 days the test item was shown to have hydrolysed by less than 10% at each pH (equivalent to half-life 25°C >1 year). This indicated that the test item was hydrolytically stable and significant hydrolysis had not occurred at environmentally relevant pH.
Reference
Hydrolysis of m/p-Diol in Aqueous pH 4 Buffer: Assay of Hydrolysis Samples
Time point (Days) |
Applied Conc. (μg/mL) |
Dilution Factor |
Measured pH |
Nominal Conc. (μg/mL) |
Determined Conc. (μg/mL) |
Recovery (%) |
Mean Found Recovery (%) |
Coefficient of Variation (%) |
Ln of Mean Recovery |
Blank |
NA |
0.8 |
3.99 |
0.00 |
0.00 |
NA |
NA |
NA |
NA |
0 |
100.00 |
0.8 0.8 0.8 |
4.02 4.01 4.01 |
80.00 80.00 80.00 |
72.93 73.29 NA* |
91.2 91.6 NA* |
91.4 |
NA |
4.52 |
0.1 |
100.00 |
0.8 0.8 0.8 |
4.01 4.02 4.01 |
80.00 80.00 80.00 |
79.88 80.42 80.42 |
99.9 100.5 100.5 |
100.3 |
0.4 |
4.61 |
1 |
100.00 |
0.8 0.8 0.8 |
4.01 4.00 4.01 |
80.00 80.00 80.00 |
80.42 80.12 80.23 |
100.5 100.2 100.3 |
100.3 |
0.2 |
4.61 |
5 |
100.00 |
0.8 0.8 0.8 |
4.03 4.04 4.01 |
80.00 80.00 80.00 |
78.76 79.25 80.62 |
98.5 99.1 100.8 |
99.5 |
1.2 |
4.60 |
NA = Not Applicable
*Not used in further calculations. Bad injection.
Hydrolysis of m/p-Diol in Aqueous pH 7 Buffer: Assay of Hydrolysis Samples
Time point (Days) |
Applied Conc. (μg/mL) |
Dilution Factor |
Measured pH |
Nominal Conc. (μg/mL) |
Determined Conc. (μg/mL) |
Recovery (%) |
Mean Found Recovery (%) |
Coefficient of Variation (%) |
Ln of Mean Recovery |
Blank |
NA |
0.8 |
6.99 |
0.00 |
0.00 |
0.0 |
NA |
NA |
NA |
0 |
100.0 |
0.8 0.8 0.8 |
7.01 6.99 7.00 |
80.00 80.00 80.00 |
79.36 79.09 77.65 |
99.2 98.9 97.1 |
98.4 |
1.2 |
4.59 |
0.1 |
100.0 |
0.8 0.8 0.8 |
6.97 6.97 6.94 |
80.00 80.00 80.00 |
86.96 85.09 86.47 |
108.7 106.4 108.1 |
107.7 |
1.1 |
4.68 |
1 |
100.0 |
0.8 0.8 0.8 |
6.94 6.98 6.94 |
80.00 80.00 80.00 |
85.30 85.53 87.03 |
106.6 106.9 108.8 |
107.4 |
1.1 |
4.68 |
5 |
100.0 |
0.8 0.8 0.8 |
6.92 6.94 6.92 |
80.00 80.00 80.00 |
86.06 88.72 83.62 |
107.6 110.9 104.5 |
107.7 |
3.0 |
4.68 |
NA = Not Applicable
Hydrolysis of m/p-Diol in Aqueous pH 9 Buffer: Assay of Hydrolysis Samples
Time point (Days) |
Applied Conc. (μg/mL) |
Dilution Factor |
Measured pH |
Nominal Conc. (μg/mL) |
Determined Conc. (μg/mL) |
Recovery (%) |
Mean Found Recovery (%) |
Coefficient of Variation (%) |
Ln of Mean Recovery |
Blank |
NA |
0.8 |
8.98 |
0.00 |
0.00 |
0.0 |
NA |
NA |
NA |
0 |
100.0 |
0.8 0.8 0.8 |
8.72 8.74 8.74 |
80.00 80.00 80.00 |
78.58 78.24 78.16 |
98.2 97.8 97.7 |
97.9 |
0.3 |
4.58 |
0.1 |
100.0 |
0.8 0.8 0.8 |
8.74 8.75 8.75 |
80.00 80.00 80.00 |
85.48 85.98 85.73 |
106.9 107.5 107.2 |
107.2 |
0.3 |
4.67 |
1 |
100.0 |
0.8 0.8 0.8 |
8.75 8.75 8.75 |
80.00 80.00 80.00 |
87.07 86.24 81.32 |
108.8 107.8 101.7 |
106.1 |
3.7 |
4.66 |
5 |
100.0 |
0.8 0.8 0.8 |
8.75 8.75 8.75 |
80.00 80.00 80.00 |
86.66 74.46 NA* |
108.3 93.1 NA* |
100.7 |
NA |
4.61 |
NA = Not Applicable
*Not used in further calculations. Bad injection.
Description of key information
m/p-Diol a complex reaction product is regarded as hydrolytically stable. The single component α,α,α',α'-tetramethyl-m-xylene-α,α'-diol (m-diol) is therefore also regarded as hydrolytically stable.
Key value for chemical safety assessment
Additional information
One valid study is available for m/p-Diol, a complex reaction product. The hydrolysis of m/p-Diol was evaluated in a study performed in accordance with OECD testing guideline 111 and GLP requirements. The two principle components of the test item were used as tracer peaks for determination of rate of hydrolysis.
The hydrolysis of m/p-Diol was assessed in aqueous buffers at pH 4, 7 and 9 at 50 ± 0.5 °C. After 5 days the test item was shown to have hydrolysed by less than 10% at each pH (equivalent to half-life 25°C >1 year). This indicated that the test item was hydrolytically stable and significant hydrolysis had not occurred at environmentally relevant pH.
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