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EC number: 812-877-4 | CAS number: 1228350-17-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 Sept. - 18 Oct. 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- Adopted 13 April 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Commission Regulation (EU) 2016/266 A.24.Partition Coefficient (n-Octanol/Water), High Performance Liquid Chromatography (HPLC) Method,
- Version / remarks:
- EC Publication No. O.J. L54/1, 01 March 2016
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl methacrylate
- EC Number:
- 812-877-4
- Cas Number:
- 1228350-17-1
- Molecular formula:
- C13 H11 F13 O2
- IUPAC Name:
- 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl methacrylate
- Test material form:
- liquid
- Details on test material:
- Test Item name Fluowet PMA600
Batch No. DH213/16
Appearance transparent to brownish liquid
Purity 99.4 %
Expiry date 01 June 2017
Storage room temperature, protected from light
Constituent 1
- Specific details on test material used for the study:
- Batch No. DH213/16
Appearance transparent to brownish liquid
Purity 99.4 %
Expiry date 01 June 2017
Storage room temperature, protected from light
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.18
- Temp.:
- 25 °C
- pH:
- ca. 6
- Key result
- Type:
- Pow
- Partition coefficient:
- 1 525 889
- Temp.:
- 25 °C
- pH:
- ca. 6
- Details on results:
- The determined log Pow: 6.18 +/- 0.002 (95 % confidence interval).
The estimated Pow: 1525889 +/- 6669.5 (95 % confidence interval).
Quality criteria were met as values of log Pow derived from individual measurements fell within a range of 0.1 log units.
Any other information on results incl. tables
The measured retention times of Fluowet PMA600:
Substance name |
Retention time (min) |
log k' |
log Pow |
|
Fluowet PMA600 |
29.29 |
1.095 |
6.19 |
|
29.28 |
1.095 |
6.19 |
||
29.23 |
1.094 |
6.18 |
||
29.23 |
1.094 |
6.18 |
||
29.22 |
1.094 |
6.18 |
||
29.23 |
1.094 |
6.18 |
||
Mean |
29.25 |
1.095 |
6.18 |
|
Applicant's summary and conclusion
- Conclusions:
- The determined log Pow: 6.18 +/- 0.002 (95 % confidence interval).
The estimated Pow: 1525889 +/- 6669.5 (95 % confidence interval).
Quality criteria were met as values of log Pow derived from individual measurements fell within a range of 0.1 log units. - Executive summary:
In the course of this study the partition coefficient (Pow) of Fluowet PMA600 was determined using high performance liquid chromatography. Eight chemicals for which log Pow-values have been reported were used to calibrate the elution time in units of log Pow.
The determined log Pow: 6.18±0.002 (95 % confidence interval).The estimated Pow: 1525889±6669.5 (95 % confidence interval).
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