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EC number: 201-933-8 | CAS number: 89-72-5
- 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
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:
- 29 June, 2009 - 6 August, 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study has been performed according to OECD and/or EC guidelines, and according to GLP principles.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 3
- Temp.:
- 25 °C
- pH:
- ca. 7
- Type:
- Pow
- Partition coefficient:
- 1 000
- Temp.:
- 25 °C
- pH:
- ca. 7
- Details on results:
- The calculation method was used for a preliminary estimation. Calculation of the Pow: The Pow of the test substance was calculated to be 3.7 x 10E3 (log Pow 3.57) using the Rekker calculation method.
However, since the HPLC method is a more accurate method, the results of this method are reported. - Conclusions:
- The results of the Rekker calculation method and the HPLC method differ more than 0.3 log units. Since the HPLC method is a more accurate method, the results of this method are reported.
The Pow and log Pow values of 2-sec-butylphenol at 25°C are 1.0x10E3 and 3.0, respectively.
- Executive summary:
The partition coefficient of the substance 2 -sec-butylphenol was determined using the Rekker calculation method and the HPLC method. The results of the Rekker calculation method and the HPLC method differ more than 0.3 log units. Since the HPLC method is a more accurate method, the results of this method are reported. The method followed OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) and EU Method A.8 (Partition Coefficient) In the chromatogram of the test substance solution, several peaks were observed. The large peak at about 22 minutes was considered to derive from the test substance. The peaks between 0 and 4 minutes were also observed in the chromatogram of the blank solution. Therefore, it was assumed that these peaks did not derive from the test substance. The equation of the regresion line of the calibration curve of the log k' of the reference substances as function of log Powwas: log k' = 0.592 x log Pow-0.520 (r = 0.9991, n = 12).
The Pow and log Pow values of 2-sec-butylphenol at 25°C are 1.0x103 and 3.0, respectively.
Reference
In the chromatogram of the test substance solution, several peaks were observed. The large peak at about 22 minutes was considered to derive from the test substance. The peaks between 0 and 4 minutes were also observed in the chromatogram of the blank solution. Therefore, it was assumed that these peaks did not derive from the test substance.
The results of the HPLC method are given in the table 10:
Table 10: Pow at neutral pH
Substance |
Tr,1 |
Tr,2 |
Mean tr(n=2) |
Log Pow |
Pow |
Formamide (t0) |
1.125 |
1.125 |
1.125 |
|
|
Ethylmethylketone |
1.665 |
1.665 |
1.665 |
0.3 |
|
Benzylalcohol |
2.518 |
2.510 |
2.514 |
1.1 |
|
Nitrobenzene |
5.643 |
5.587 |
5.615 |
1.9 |
|
Toluene |
16.262 |
16.080 |
16.171 |
2.7 |
|
Bromobenzene |
21.042 |
20.753 |
20.898 |
3.0 |
|
1,4-dichlorobenzene |
35.484 |
35.020 |
35.302 |
3.4 |
|
Test substance |
21.986 |
21.918 |
21.952 |
3.0 |
1.0 x 103 |
The equation of the regresion line of the calibration curve of the log k' of the reference substances as function of log Pow was: log k' = 0.592 x log Pow-0.520 (r = 0.9991, n = 12).
Description of key information
Pow = 1000 at 25°C, pH ca. 7
log Pow = 3 at 25°C, pH ca. 7
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3
- at the temperature of:
- 20 °C
Additional information
The partition coefficient of the substance 2 -sec-butylphenol was determined using the Rekker calculation method and the HPLC method. The results of the Rekker calculation method and the HPLC method differ more than 0.3 log units. Since the HPLC method is a more accurate method, the results of this method are reported. The method followed OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) and EU Method A.8 (Partition Coefficient) In the chromatogram of the test substance solution, several peaks were observed. The large peak at about 22 minutes was considered to derive from the test substance. The peaks between 0 and 4 minutes were also observed in the chromatogram of the blank solution. Therefore, it was assumed that these peaks did not derive from the test substance. The equation of the regresion line of the calibration curve of the log k' of the reference substances as function of log Powwas: log k' = 0.592 x log Pow-0.520 (r = 0.9991, n = 12).
The Powand log Powvalues of 2-sec-butylphenol at 25 °C are 1.0x103and 3.0, respectively.
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