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EC number: 216-231-7 | CAS number: 1530-48-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Study plan dated : 13 Jun 2018 and experimental completion date 24 Jul 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
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EU A.24
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Allyltributylphosphonium chloride
- EC Number:
- 216-231-7
- EC Name:
- Allyltributylphosphonium chloride
- Cas Number:
- 1530-48-9
- Molecular formula:
- C15H32P.Cl
- IUPAC Name:
- tributyl(prop-2-en-1-yl)phosphanium chloride
- Reference substance name:
- Tetrahydrothiophene 1,1-dioxide
- EC Number:
- 204-783-1
- EC Name:
- Tetrahydrothiophene 1,1-dioxide
- Cas Number:
- 126-33-0
- Molecular formula:
- C4H8O2S
- IUPAC Name:
- tetrahydrothiophene 1,1-dioxide
- Reference substance name:
- Tributyl-1-propen-1-yl-phosphonium chloride
- Molecular formula:
- C15H32P.Cl
- IUPAC Name:
- Tributyl-1-propen-1-yl-phosphonium chloride
- Test material form:
- other: solid : wax like
- Details on test material:
- Homogeneity : homogeneous if totally melted
Note: For every use the test item was completely melted and the melted test item
was used for the test.
Constituent 1
impurity 1
impurity 2
- Specific details on test material used for the study:
- Designation in Test Facility: 18032901G
Date of Receipt: 29. Mar. 2018
Condition at Receipt: Room temperature, in proper conditions
Homogeneity homogeneous if totally melted
Vapour pressure <0.1 hPa at 30 °C
Stability in solvents H2O: unknown; EtOH: unknown; acetone: unknown; CH3CN: unknown; DMSO: unknown
Solubility in solvents H2O: > 1 g/L; EtOH: unknown; acetone: unknown; CH3CN: unknown; DMSO: unknown
Expiry date 17. Oct. 2019
Storage Room Temperature (20 ± 5°C)
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- ca. 5
- Details on results:
- Instrument Parameters
Eluent: MeOH/H2O 65/35 (% v/v), ultrasonic degassed, pH ~ 5 (pH paper)
Flow rate. 0.8 mL/min
Injection volume: 10 μL
Column: Luna 3μ C18(2), 100*4.6 mm with precolumn Phenomenex Security Guard C18, 4x3 mm
Column temperature: 25 ± 1 °C
Wavelength for evaluation: 254 nm (reference item mix) 200 nm (test item)
Mobile Phase
A mixture of 65 % methanol and 35 % water, isocratic, was used.
Applicant's summary and conclusion
- Conclusions:
- Variations in the retention times of reference items and test item were very small, demon-strating a stable configuration of the HPLC-column.
The correlation log k / log POW is acceptable: the coefficient of determination r2 was calcu-lated with 0.9527. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test item Allyltributylphosphonium chloride.
As dissolved air in the sample results also in a detectable peak, the relative peak area of the test item peak is not 100 %. The test item peak lies within the dead time of the method and not within the range of log POWs of the reference items. It is thus concluded that the test item Allyltributylphosphonium chloride has a log POW of < 0.3.
No observations were made which might cause doubts concerning the validity of the study outcome. - Executive summary:
The peak lies within the dead time of the method and not within the range of log POWs of the reference items. It is thus concluded that the test item Allyltributylphosphonium chloride has a log POW of < 0.3
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