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EC number: 276-743-1 | CAS number: 72624-02-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
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- 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
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- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
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- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
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- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
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- Repeated dose toxicity
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- 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:
- Testing was conducted between 08 December 2011 and 24 April 2012.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
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
Test material
- Reference substance name:
- Phenol, heptyl derivs.
- EC Number:
- 276-743-1
- EC Name:
- Phenol, heptyl derivs.
- Cas Number:
- 72624-02-3
- Molecular formula:
- C13H20O
- IUPAC Name:
- 4-(2-methylhexyl)phenol; 4-heptylphenol
- Details on test material:
- Description:amber coloured viscous liquid
Purity: 100% (based on UVCB composition)
Expiry date: 01 December 2012
Date received: 01 December 2011
Storage conditions: room temperature, in the dark
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- 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 1.5 x 10-2 g/l in the three buffer solutions. A 1% co-solvent of acetonitrile was used to aid solubility.
The test solutions were split into individual vessels for each data point.
The 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 for pH 4 and a period of 381 hours at pH 7 and pH 9.
Additional testing directly at 25°C
Results from the Preliminary test/Tier 1 showed it was necessary to undertake further testing at pH 7, with solutions being maintained at 25.0 ± 0.5°C for a period of 768 hours.
Analysis of sample solutions
Duplicate vessels of sample solutions were taken from the waterbaths at each timepoint and the pH of each solution recorded.
The test item concentration of the sample solutions were then determined by high performance liquid chromatography (HPLC).
Samples
An aliquot of each of the duplicate vessels of sample solution (A and B) was diluted by a factor of 2 using methanol.
Standards
Duplicate standard solutions of test item were prepared in methanol: relevant buffer solution (50:50 v/v) at a nominal concentration of 7.5 mg/l for each pH.
Matrix blanks
Methanol: relevant buffer solution (50:50 v/v) for each pH.
Duration of testopen allclose all
- Duration:
- 120 h
- pH:
- 4
- Initial conc. measured:
- 0.152 g/L
- Duration:
- 120
- pH:
- 7
- Initial conc. measured:
- 0.153 g/L
- Duration:
- 120
- pH:
- 9
- Initial conc. measured:
- 0.156 g/L
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Preliminary study:
- The mean peak total areas relating to the standard and sample solutions are shown in the table 9.2 please see other information on results including tables section.
- Test performance:
- Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 10 mg/l. This was satisfactory with a correlation coefficient of 1.000 being obtained for the analysis matrix for all 3 pH’s investigated. - Transformation products:
- not specified
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Other kinetic parameters:
- None.
Any other information on results incl. tables
Results
Preliminary test/Tier 1
The mean peak total areas relating to the standard and sample solutions are shown in the following table:
Table 9.2
Solution |
Mean Total Peak Area |
Standard 7.96 mg/l |
1.402 x 107 |
Standard 8.05 mg/l |
1.409 x 107 |
Initial Sample A, pH 4 |
1.336 x 107 |
Initial Sample B, pH 4 |
1.337 x 107 |
Standard 7.96 mg/l |
1.374 x 107 |
Standard 8.05 mg/l |
1.404 x 107 |
Initial Sample A, pH 7 |
1.331 x 107 |
Initial Sample B, pH 7 |
1.326 x 107 |
Standard 7.96 mg/l |
1.342 x 107 |
Standard 8.05 mg/l |
1.386 x 107 |
Initial Sample A, pH 9 |
1.328 x 107 |
Initial Sample B, pH 9 |
1.330 x 107 |
Standard 7.44 mg/l |
1.311 x 107 |
Standard 8.00 mg/l |
1.439 x 107 |
24 Hour Sample A, pH 4 |
1.304 x 107 |
24 Hour Sample B, pH 4 |
1.335 x 107 |
Standard 7.44 mg/l |
1.314 x 107 |
Standard 8.00 mg/l |
1.424 x 107 |
24 Hour Sample A, pH 7 |
1.284 x 107 |
24 Hour Sample B, pH 7 |
1.289 x 107 |
Standard 7.44 mg/l |
1.312 x 107 |
Standard 8.00 mg/l |
1.425 x 107 |
24 Hour Sample A, pH 9 |
1.309 x 107 |
24 Hour Sample B, pH 9 |
1.330 x 107 |
Table 9.2 continued
Solution |
Mean Total Peak Area |
Standard 8.06 mg/l |
1.343 x 107 |
Standard 7.97 mg/l |
1.295 x 107 |
120 Hour Sample A, pH 4 |
1.186 x 107 |
120 Hour Sample B, pH 4 |
1.189 x 107 |
Standard 8.06 mg/l |
1.385 x 107 |
Standard 7.97 mg/l |
1.362 x 107 |
120 Hour Sample A, pH 7 |
1.132 x 107 |
120 Hour Sample B, pH 7 |
1.149 x 107 |
Standard 8.06 mg/l |
1.366 x 107 |
Standard 7.97 mg/l |
1.354 x 107 |
120 Hour Sample A, pH 9 |
1.205 x 107 |
120 Hour Sample B, pH 9 |
1.186 x 107 |
Standard 7.98 mg/l |
1.375 x 107 |
Standard 7.62 mg/l |
1.270 x 107 |
216 Hour Sample A, pH 9 |
1.154 x 107 |
216 Hour Sample B, pH 9 |
1.146 x 107 |
Standard 7.35 mg/l |
1.256 x 107 |
Standard 7.78 mg/l |
1.326 x 107 |
381 Hour Sample A, pH 7 |
1.006 x 107 |
381 Hour Sample B, pH 7 |
1.036 x 107 |
Standard 7.35 mg/l |
1.237 x 107 |
Standard 7.78 mg/l |
1.288 x 107 |
381 Hour Sample A, pH 9 |
1.068 x 107 |
381 Hour Sample B, pH 9 |
9.812 x 106 |
The test item concentrations at the given time points are shown in the following tables:
Table 9.3 pH 4 at 50.0 ± 0.5ºC
|
Time (Hours) |
|||||
Initial (A) |
Initial (B) |
24 (A) |
24 (B) |
120 (A) |
120 (B) |
|
Concentration (g/l) |
1.52 x 10-2 |
1.52 x 10-2 |
1.46 x 10-2 |
1.50 x 10-2 |
1.44 x 10-2 |
1.44 x 10-2 |
% of mean initial concentration |
100 |
100 |
96.2 |
98.5 |
94.7 |
94.9 |
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
Table 9.4 pH 7 at 50.0 ± 0.5ºC
|
Time (Hours) |
|||||
Initial (A) |
Initial (B) |
24 (A) |
24 (B) |
120 (A) |
120 (B) |
|
Concentration (g/l) |
1.53 x 10-2 |
1.53 x 10-2 |
1.45 x 10-2 |
1.45 x 10-2 |
1.32 x 10-2 |
1.34 x 10-2 |
Log10[concentration (g/l)] |
-1.814 |
-1.816 |
-1.839 |
-1.838 |
-1.879 |
-1.873 |
% of mean initial concentration |
100 |
99.8 |
94.6 |
95.0 |
86.3 |
87.6 |
Table 9.4 continued pH 7 at 50.0 ± 0.5ºC
|
Time (Hours) |
|
381 (A) |
381 (B) |
|
Concentration (g/l) |
1.18 x 10-2 |
1.21 x 10-2 |
Log10[concentration (g/l)] |
-1.929 |
-1.916 |
% of mean initial concentration |
77.0 |
79.3 |
Result:The data resulted in a pseudo-second order plot, see Figure 9.1 (Attachment 2 of this Summary), for which the quantification of rate constants was beyond the scope of the guideline methodology. To generate data for environmental assessment, a second test, performed directly at 25.0±0.5°C for a period of 32 days, was performed.
Table 9.5 pH 9 at 50.0 ± 0.5ºC
|
Time (Hours) |
|||||
Initial (A) |
Initial (B) |
24 (A) |
24 (B) |
120 (A) |
120 (B) |
|
Concentration (g/l) |
1.56 x 10-2 |
1.56 x 10-2 |
1.48 x 10-2 |
1.50 x 10-2 |
1.42 x 10-2 |
1.40 x 10-2 |
% of mean initial concentration |
100 |
100 |
94.7 |
96.2 |
91.1 |
89.6 |
Table 9.5 continued pH 9 at 50.0 ± 0.5ºC
|
Time (Hours) |
|||
216 (A) |
216 (A) |
381 (B) |
381 (B) |
|
Concentration (g/l) |
1.36 x 10-2 |
1.35 x 10-2 |
1.28 x 10-2 |
1.18 x 10-2 |
% of mean initial concentration |
87.3 |
86.7 |
82.0 |
75.4 |
Result: Less than 10% hydrolysis after 5 days at 50°C (mean hydrolysis 9.6%), equivalent to a half-life greater than 1 year at 25°C.
Additional testing directly at 25°C
The mean peak total areas relating to the standard and sample solutions are shown in the following table:
Table 9.6
Solution |
Mean Peak Total Area |
Standard 7.46 mg/l |
1.289 x 107 |
Standard 6.36 mg/l |
1.064 x 107 |
Initial Sample A, pH 7, 25ºC |
1.251 x 107 |
Initial Sample B, pH 7, 25ºC |
1.272 x 107 |
Standard 7.58 mg/l |
1.319 x 107 |
Standard 7.23 mg/l |
1.255 x 107 |
74 Hour Sample A, pH 7, 25ºC |
1.230 x 107 |
74 Hour Sample B, pH 7, 25ºC |
1.242 x 107 |
Standard 7.68 mg/l |
1.291 x 107 |
Standard 7.82 mg/l |
1.184 x 107 |
169 Hour Sample A, pH 7, 25ºC |
1.232 x 107 |
169 Hour Sample B, pH 7, 25ºC |
1.228 x 107 |
Standard 7.85 mg/l |
1.367 x 107 |
Standard 8.48 mg/l |
1.489 x 107 |
336 Hour Sample A, pH 7, 25ºC |
1.220 x 107 |
336 Hour Sample B, pH 7, 25ºC |
1.222 x 107 |
Standard 7.62 mg/l |
1.188 x 107 |
Standard 7.46 mg/l |
1.298 x 107 |
504 Hour Sample A, pH 7, 25ºC |
1.198 x 107 |
504 Hour Sample B, pH 7, 25ºC |
1.222 x 107 |
Standard 7.79 mg/l |
1.320 x 107 |
Standard 7.66 mg/l |
1.338 x 107 |
672 Hour Sample A, pH 7, 25ºC |
1.191 x 107 |
672 Hour Sample B, pH 7, 25ºC |
1.201 x 107 |
Standard 8.49 mg/l |
1.383 x 107 |
Standard 8.94 mg/l |
1.331 x 107 |
768 Hour Sample A, pH 7, 25ºC |
1.217 x 107 |
768 Hour Sample B, pH 7, 25ºC |
1.218 x 107 |
The test item concentrations at the given time points are shown in the following table:
Table 9.7 pH 7 at 25.0 ± 0.5ºC
|
Time (Hours) |
|||||
Initial (A) |
Initial (B) |
74 (A) |
74 (B) |
169 (A) |
169 (B) |
|
Concentration (g/l) |
1.47 x 10-2 |
1.50 x 10-2 |
1.42 x 10-2 |
1.43 x 10-2 |
1.54 x 10-2 |
1.54 x 10-2 |
% of mean initial concentration |
99.2 |
101 |
95.4 |
96.4 |
104 |
104 |
Table 9.7 continuedpH 7 at 25.0 ± 0.5ºC
|
Time (Hours) |
|||||
336 (A) |
336 (B) |
504 (A) |
504 (B) |
672 (A) |
672 (B) |
|
Concentration (g/l) |
1.40 x 10-2 |
1.40 x 10-2 |
1.45 x 10-2 |
1.48 x 10-2 |
1.38 x 10-2 |
1.40 x 10-2 |
% of mean initial concentration |
94.1 |
94.2 |
97.9 |
99.8 |
93.2 |
94.0 |
Table 9.7 continued pH 7 at 25.0 ± 0.5ºC
|
Time (Hours) |
|
768 (A) |
768 (B) |
|
Concentration (g/l) |
1.56 x 10-2 |
1.56 x 10-2 |
% of mean initial concentration |
105 |
105 |
Result: No evidence of hydrolysis was observed over the period of 32 days. All analysis resulted in a test item recovery of 100±6% of the initial concentration, demonstrating random experimental variance only without any underlying trend. In addition, the data confirmed a hydrolytic half-life of greater than 1 year at 25°C.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Remarks:
- The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 10 mg/l. This was satisfactory with a correlation coefficient of 1.000 being obtained for the analysis matrix for all 3 pH’s in
- Conclusions:
- The estimated half-life at 25°C of the test material at pH 4, 7 and 9 is greater than 1 year.
- Executive summary:
Method
The determination was carried out using a procedure designed to be compatible with Method C7 Abiotic Degradation, Hydrolysis as a Function of pH of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 111 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Conclusion
The estimated half-life at 25°C for the test item is shown in the following table:
Table 9.8
pH
Estimated half-life at 25°C
4
>1 year
7
>1 year
9
>1 year
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