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EC number: 202-009-7 | CAS number: 90-66-4
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 August 2017 to 30 August 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.24. “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method”
- Version / remarks:
- Commission Regulation (EU) No 2016/266 of 7 December 2015 amending, for the purpose of its adaptation to technical progress, the Annex to Regulation (EC) No 440/2008 laying down test methods pursuant to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), Method A.24. “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method”, Official Journal of the European Union L 54 of 01 March 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- Organisation for Economic Co-operation and Development (OECD) Guidelines for Testing of Chemicals, Guideline No. 117, “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method” updated Guideline, adopted 13 April 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- No further details specified in the study report.
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified
- Details on results:
- The capacity factor k and log Pow for 6,6’-di-tert-butyl-2,2’-thiodi-p-cresol were calculated based on the calibration data obtained with the reference substances.
The estimated log Pow: > 6.5. - Conclusions:
- The capacity factor k and log Pow for 6,6’-di-tert-butyl-2,2’-thiodi-p-cresol were calculated based on the calibration data obtained with the reference substances.
The estimated log Pow: > 6.5. - Executive summary:
The partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system. In this case there is a partitioning between the mobile solvent phase and the hydrocarbon stationary phase. This enables the relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient to be established.
The purpose of this study was to determine the partition coefficient of 6,6’-di-tert-butyl-2,2’-thiodi-p-cresol.
The test method uses HPLC for determination of the partition coefficient in accordance with the following guidelines:
Commission Regulation (EU) No 2016/266 of 7 December 2015 amending, for the purpose of its adaptation to technical progress, the Annex to Regulation (EC) No 440/2008 laying down test methods pursuant to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), Method A.24. “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method”, Official Journal of the European Union L 54 of 01 March 2016
Organisation for Economic Co-operation and Development (OECD) Guidelines for Testing of Chemicals, Guideline No. 117, “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method” updated Guideline, adopted 13 April 2004
The three calibration series and three test item series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 6 reference substances.
The capacity factors k were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values.
The equation of the curve fitted to the calibration points is as follows:
log Pow = 4.4044 × log k + 2.3327 (R2 = 0.9918)
The capacity factor k and log Pow for 6,6’-di-tert-butyl-2,2’-thiodi-p-cresol were calculated based on the calibration data obtained with the reference substances.
The estimated log Pow: > 6.5.
Reference
Measured and calculated data of the reference substances
Chemical name |
Log Pow |
Retention time (min) |
Log k |
Repeatability ∆ log Pow (max-min) log unit |
Reproducibility ∆ log Pow (OECD 117- Calculated) log unit |
Log Pow |
OECD 117 |
Calculated |
Calculated |
||||
Thiourea |
- |
2.13 |
For determination of dead time |
|||
2.13 |
||||||
2.13 |
||||||
2.13 |
||||||
2.13 |
||||||
2.13 |
||||||
Mean |
2.13 |
|||||
CV% |
0.0 |
|||||
Benzonitrile |
1.6 |
3.44 |
-0.211 |
0.01 |
0.2 |
1.4 |
3.44 |
-0.211 |
1.4 |
||||
3.44 |
-0.211 |
1.4 |
||||
3.45 |
-0.208 |
1.4 |
||||
3.44 |
-0.211 |
1.4 |
||||
3.44 |
-0.211 |
1.4 |
||||
Mean |
3.44 |
-0.211 |
1.4 |
|||
CV% |
0.1 |
- |
- |
|||
Methyl benzoate |
2.1 |
4.07 |
-0.041 |
0.01 |
0.1 |
2.2 |
4.08 |
-0.038 |
2.2 |
||||
4.08 |
-0.038 |
2.2 |
||||
4.07 |
-0.041 |
2.2 |
||||
4.08 |
-0.038 |
2.2 |
||||
4.08 |
-0.38 |
2.2 |
||||
Mean |
4.08 |
-0.039 |
2.2 |
|||
CV% |
0.1 |
- |
- |
|||
Ethyl benzoate |
2.6 |
4.90 |
0.114 |
0.01 |
0.2 |
2.8 |
4.90 |
0.114 |
2.8 |
||||
4.90 |
0.114 |
2.8 |
||||
4.90 |
0.114 |
2.8 |
||||
4.90 |
0.114 |
2.8 |
||||
4.89 |
0.113 |
2.8 |
||||
Mean |
4.90 |
0.114 |
2.8 |
|||
CV% |
0.1 |
- |
- |
|||
Benzophenone |
3.2 |
5.29 |
0.171 |
0.01 |
0.1 |
3.1 |
5.29 |
0.171 |
3.1 |
||||
5.29 |
0.171 |
3.1 |
||||
5.29 |
0.171 |
3.1 |
||||
5.29 |
0.171 |
3.1 |
||||
5.30 |
0.173 |
3.1 |
||||
Mean |
5.29 |
0.172 |
3.1 |
|||
CV% |
0.1 |
- |
- |
|||
Naphtalene |
3.6 |
6.46 |
0.308 |
0.00 |
0.1 |
3.7 |
6.46 |
0.308 |
3.7 |
||||
6.47 |
0.309 |
3.7 |
||||
6.47 |
0.309 |
3.7 |
||||
6.47 |
0.309 |
3.7 |
||||
6.46 |
0.308 |
3.7 |
||||
Mean |
6.47 |
0.309 |
3.7 |
|||
CV% |
0.1 |
- |
- |
|||
DDT |
6.5 |
20.17 |
0.928 |
0.00 |
0.1 |
6.4 |
20.17 |
0.928 |
6.4 |
||||
20.16 |
0.928 |
6.4 |
||||
20.18 |
0.928 |
6.4 |
||||
20.18 |
0.928 |
6.4 |
||||
20.18 |
0.928 |
6.4 |
||||
Mean |
20.17 |
0.928 |
6.4 |
|||
CV% |
0.0 |
- |
- |
Measured and calculated data of the test item
|
Retention time (min) |
Log k |
Log Pow |
Pow |
Calculated data |
||||
6,6’-di-tert-butyl-2,2’-thiodi-p-cresol |
36.80 |
1.212 |
>6.5 |
- |
36.81 |
1.212 |
>6.5 |
- |
|
36.60 |
1.209 |
>6.5 |
- |
|
36.80 |
1.212 |
>6.5 |
- |
|
36.79 |
1.211 |
>6.5 |
- |
|
36.80 |
1.212 |
>6.5 |
- |
|
Mean |
36.77 |
1.211 |
>6.5 |
- |
Conf. (95%) |
0.09 |
- |
- |
- |
CV% |
0.2 |
- |
- |
- |
Description of key information
The estimated log Pow: > 6.5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 25 °C
Additional information
The test method uses HPLC for determination of the partition coefficient.
The three calibration series and three test item series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 6 reference substances.
The capacity factors k were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values.
The equation of the curve fitted to the calibration points is as follows:
log Pow = 4.4044 × log k + 2.3327 (R2 = 0.9918)
The capacity factor k and log Pow for 6,6’-di-tert-butyl-2,2’-thiodi-p-cresol were calculated based on the calibration data obtained with the reference substances.
The estimated log Pow: > 6.5.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.