Registration Dossier
Registration Dossier
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EC number: 241-533-0 | CAS number: 17540-75-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 02 May 2018 to 15 June 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: EU method A.24 (Partition coefficient (n-octanol / water), HPLC method)
- Version / remarks:
- 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-sec-butyl-2,6-di-tert-butylphenol
- EC Number:
- 241-533-0
- EC Name:
- 4-sec-butyl-2,6-di-tert-butylphenol
- Cas Number:
- 17540-75-9
- Molecular formula:
- C18H30O
- IUPAC Name:
- 4-(butan-2-yl)-2,6-di-tert-butylphenol
- Test material form:
- liquid
- Details on test material:
- Appearance: Colourless to yellowish liquid
Test item storage: At room temperature
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 7.2
- Temp.:
- 20 °C
- Remarks on result:
- other: neutral pH
- Details on results:
- One peak in the UPLC chromatogram of the test item.
Retention time of test item: 21.4 min.
Retention time of benzo[ghi]perylene (reference substance with log Pow of 7.2): 19.3 min.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the substance at neutral pH and ca. 20°C was determined to be > 7.2. Pow > 1.6E7.
- Executive summary:
The partition coefficient (n-octanol/water) of the substance was determined using the HPLC method. The study was performed in accordance with EC A.24, OECD 117 and OPPTS 830.7570 and in compliance with GLP. An UPLC-UV system was used with 75/25 (v/v) methanol/water as mobile phase and 210 nm as wavelength of detection. Test item and reference substance benzo[ghi]perylene were injected into the system. The chromatogram of the test item showed one peak at 21.4 min. The retention time of benzo[ghi]perylene (log Pow 7.2) was 19.3 min. From this it was concluded that the log Pow of the substance at neutral pH and ca. 20°C is > 7.2 (Pow > 1.6E7). This is in agreement with the calculated value of 7.7 (Rekker calculation method).
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