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EC number: 701-171-0 | 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
Biotransformation and kinetics
Administrative data
- Endpoint:
- biotransformation and kinetics
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well documented study according to a sound study design similar (but not identical) to the OECD protocol for biotransformation using rainbow trout liver S9 fraction and hepatocytes that is currently undergoing validation.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD Guideline for biotransformation using rainbow trout liver S9 fraction and hepatocytes (Guideline currently under validation)
- Deviations:
- yes
- Remarks:
- A single tube (in replicates) was used for the incubations procedure as opposed to several test tubes representing each time point.
- GLP compliance:
- yes
- Type of medium:
- animal
Test material
- Reference substance name:
- 2,4,6-tris(1-phenylethyl)phenol
- EC Number:
- 242-128-1
- EC Name:
- 2,4,6-tris(1-phenylethyl)phenol
- Cas Number:
- 18254-13-2
- Molecular formula:
- C30H30O
- IUPAC Name:
- 2,4,6-tris(1-phenylethyl)phenol
- Test material form:
- liquid: viscous
- Details on test material:
- The test material is one of the main constituents of the reaction mass of 2,4,6-tris(1-phenylethyl)phenol and Bis(1-phenylethyl) phenol.
Constituent 1
Results and discussion
- Transformation products:
- no
Any other information on results incl. tables
The hepatocyte assay was conducted with the biological activity being stopped using a 1:1 ACN:THF dilution. Tables 1 - 3 detail the biotransformation of TSP after 180 min incubation with rainbow trout hepatocytes in the three separate experiments.
In Experiment One, loss of TSP was observed in the reaction mix, as well as in all of the controls (e.g. solvent deactivated and fluroxypyr positive control). It was later identified that the source of the GC-MS was not workin properly and therefore, any observed loss was due to the malfunction of the GC-MS instrument itself.
There was also a concern that the solvent deactivation procedure was not stringent enough and therefore caused false positive responses in the controls. It was then decided thatthe hepatocytes would be heat deactivated (boiling hepatocytes at 100 °C for at least 1 min) as opposed tobeing deactivated using solvent as it was performed in Experiment One. Based on these two factors, twoadditional experiments were conducted with TSP and hepatocytes.
In Experiments Two and Three, no loss of TSP was observed in the heat deactivated negative controlsindicating that enzymes were successfully denatured. In addition, loss of the positive control, fluroxypyr,was observed. over the course of both experiments indicating that the hepatocytes were metabolically active. No loss of TSP was observed in the reaction mixes from Experiment Two and Three.
In conclusion there was no significant loss of parent TSP over time demonstrating that there was noenzymatic metabolism
It should be noted that higher levels of TSP and fluroxypyr were detected in the S9 study, as opposed to this study, even though both studies utilized the same concentration. While a definitive reason cannot begiven, it is likely due to differences in binding within the cell suspension and ultimate bioavailability. Itis likely that these compounds had a greater affinity for the hepatocytes compared to the S9 suspension, thus lowering the overall bioavailable free measurable fraction. The fluoroxypyr concentrations detected in both experiments are within the range typically detected from our laboratory.
Further, the absolute Time 0 initial concentrations are different between concentrations. The Time 0samples were taken immediately after the addition of the last reagent. Recent discussions with thistechnique suggest that this does not represent a true Time 0 as biotransformation may begin immediately. Therefore, the reported Time 0 is a relative value. Given that the bioavailability of TSP appears to be different with S9 cells and cell suspensions, the bioavailability in the reaction mix likely attributed to differences in starting concentrations.
|
|
TSP Reaction Mix |
Solvent Deactivated Control |
|
Fluroxypyr Positive Control |
Fluroxypyr Deactivated Control |
Run |
Time point |
TSP Conc. (ppm) |
TSP Conc. (ppm) |
Time point |
TSP Conc. (ppm) |
TSP Conc. (ppm) |
1 |
0 min |
3.57 |
1 |
0 min |
41.64 |
52.84 |
2 |
0 min |
1.62 |
0.12 |
0 min |
47.87 |
36.63 |
3 |
0 min |
1.83 |
0.44 |
0 min |
48.55 |
38.37 |
Avg. |
0 min |
2.34 |
0.52 |
0 min |
46.02 |
42.61 |
1 |
30 min |
2.16 |
0.77 |
5 min |
38.84 |
8.25 |
2 |
30 min |
1.32 |
0.69 |
5 min |
35.81 |
36.63 |
3 |
30 min |
1.5 |
0.67 |
5 min |
39.05 |
38.37 |
Avg. |
30 min |
1.66 |
0.71 |
5 min |
37.9 |
16.08 |
1 |
60 min |
0.27 |
0.44 |
10 min |
28.94 |
14.59 |
2 |
60 min |
0.25 |
0.08 |
10 min |
13.23 |
26.6 |
3 |
60 min |
0.52 |
0.19 |
10 min |
13.14 |
24.13 |
Avg. |
60 min |
0.35 |
0.24 |
10 min |
18.44 |
21.77 |
1 |
120 min |
0.61 |
0.08 |
20 min |
2.49 |
7.94 |
2 |
120 min |
0.16 |
0.27 |
20 min |
10.89 |
4.68 |
3 |
120 min |
nd |
nd |
20 min |
11.63 |
16.49 |
Avg. |
120 min |
0.39 |
0.18 |
20 min |
8.34 |
9.70 |
1 |
180 min |
0.42 |
nd |
30 min |
4.06 |
15.76 |
2 |
180 min |
0.79 |
0.18 |
30 min |
1.41 |
13.74 |
3 |
180 min |
nd |
0.12 |
30 min |
nd |
9.04 |
Avg. |
180 min |
0.61 |
0.15 |
30 min |
2.74 |
12.85 |
|
|
TSP Reaction Mix |
Solvent Deactivated Control |
|
Fluroxypyr Positive Control |
Fluroxypyr Deactivated Control |
Run |
Time point |
TSP Conc. (ppm) |
TSP Conc. (ppm) |
Time point |
TSP Conc. (ppm) |
TSP Conc. (ppm) |
1 |
0 min |
3.84 |
1.07 |
0 min |
3.85 |
3.58 |
2 |
0 min |
2.68 |
1.38 |
0 min |
2.98 |
2.98 |
3 |
0 min |
2.98 |
1.24 |
0 min |
3.68 |
2.79 |
Avg. |
0 min |
3.17 |
1.23 |
0 min |
3.50 |
3.45 |
1 |
30 min |
3.86 |
1.22 |
5 min |
3.12 |
3.48 |
2 |
30 min |
3.11 |
nd |
5 min |
2.45 |
4.62 |
3 |
30 min |
2.89 |
1.02 |
5 min |
2.98 |
3.37 |
Avg. |
30 min |
3.29 |
1.12 |
5 min |
2.85 |
3.82 |
1 |
60 min |
3.44 |
1.02 |
10 min |
1.45 |
5.01 |
2 |
60 min |
3.48 |
nd |
10 min |
1.99 |
3.45 |
3 |
60 min |
3.74 |
1.17 |
10 min |
1.32 |
4.12 |
Avg. |
60 min |
3.55 |
1.09 |
10 min |
1.59 |
4.19 |
1 |
120 min |
3.95 |
1.97 |
20 min |
0.95 |
3.97 |
2 |
120 min |
3.61 |
nd |
20 min |
0.78 |
4.82 |
3 |
120 min |
3.51 |
1.99 |
20 min |
nd |
3.12 |
Avg. |
120 min |
3.69 |
1.98 |
20 min |
0.87 |
3.97 |
1 |
180 min |
3.46 |
1.46 |
30 min |
0.01 |
4.63 |
2 |
180 min |
3.69 |
nd |
30 min |
0.15 |
4.12 |
3 |
180 min |
2.87 |
1.64 |
30 min |
nd |
3.46 |
Avg. |
180 min |
3.34 |
1.55 |
30 min |
0.08 |
4.07 |
|
|
TSP Reaction Mix |
Solvent Deactivated Control |
|
Fluroxypyr Positive Control |
Fluroxypyr Deactivated Control |
Run |
Time point |
TSP Conc. (ppm) |
TSP Conc. (ppm) |
Time point |
TSP Conc. (ppm) |
TSP Conc. (ppm) |
1 |
0 min |
2.23 |
5.21 |
0 min |
2.13 |
4.12 |
2 |
0 min |
3.21 |
4.28 |
0 min |
2.58 |
4.78 |
3 |
0 min |
2.79 |
5.01 |
0 min |
2.93 |
3.87 |
Avg. |
0 min |
2.74 |
4.83 |
0 min |
2.55 |
4.26 |
1 |
30 min |
3.05 |
4.749 |
5 min |
1.78 |
3.98 |
2 |
30 min |
2.87 |
5.12 |
5 min |
2.19 |
4.12 |
3 |
30 min |
2.01 |
4.31 |
5 min |
2.01 |
4.45 |
Avg. |
30 min |
2.64 |
4.74 |
5 min |
1.99 |
4.18 |
1 |
60 min |
2.21 |
6.23 |
10 min |
0.98 |
5.12 |
2 |
60 min |
2.12 |
4.29 |
10 min |
1.12 |
3.78 |
3 |
60 min |
2.03 |
4.82 |
10 min |
0.84 |
4.29 |
Avg. |
60 min |
2.12 |
5.11 |
10 min |
0.98 |
4.40 |
1 |
120 min |
2.35 |
5.19 |
20 min |
0.12 |
4.59 |
2 |
120 min |
3.01 |
4.76 |
20 min |
0.24 |
5.81 |
3 |
120 min |
2.08 |
4.92 |
20 min |
0.08 |
4.19 |
Avg. |
120 min |
2.48 |
4.96 |
20 min |
0.15 |
4.86 |
1 |
180 min |
2.13 |
4.18 |
30 min |
0.01 |
5.08 |
2 |
180 min |
3.02 |
5.64 |
30 min |
nd |
4.76 |
3 |
180 min |
2.52 |
4.58 |
30 min |
nd |
4.38 |
Avg. |
180 min |
2.56 |
4.8 |
30 min |
0.01 |
4.74 |
Applicant's summary and conclusion
- Conclusions:
- There was no significant loss of parent material over time due to the active biotransformation of TSP in hepatocytes from rainbow trout.
- Executive summary:
Three separate experiments were conducted where 5µM of TSP was incubated with rainbow trout hepatocytes for 180 min. In the first experiment, a loss of TSP was observed in the reaction mix and allnegative controls. It was found that the GC-MS was compromised andthe results were not reliable. Twoadditional experimentswereconductedutilizing a different GC-MS instrument. One-way ANOVA followed by Dunnett’s post hoc testing showed no significant loss of TSP relative to time 0 minutes for two independent hepatocyte assays (p ≥ 0.05). TSP showed no loss in the Heat Deactivated or No NADPH controls in the hepatocyte assay.
In conclusion, there was no significant loss of parent material over time due to the active biotransformation of TSP in hepatocytes from rainbow trout.
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