Registration Dossier
Registration Dossier
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EC number: 266-959-4 | CAS number: 67707-75-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 29 June 2016 to 15 July 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Ethyl 3,5,5-trimethylhexanoate
- EC Number:
- 266-959-4
- EC Name:
- Ethyl 3,5,5-trimethylhexanoate
- Cas Number:
- 67707-75-9
- Molecular formula:
- C11H22O2
- IUPAC Name:
- ethyl 3,5,5-trimethylhexanoate
Constituent 1
Study design
- Analytical method:
- gas chromatography
- mass spectrometry
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.59
- Temp.:
- 21.6 °C
- pH:
- 5.5
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be 3.89 x10^4 at 21.6 ± 0.5 °C, log10 Pow 4.59.
- Executive summary:
The Partition Coefficient (n-Octanol/water) of Melusat has been determined to be 3.89 x104at 21.6 ± 0.5 °C, log10Pow4.59, using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7550 of the OPPTS Guidelines.
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