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EC number: 407-550-4 | CAS number: 69184-17-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 30 April 1991-25 November 1991
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 991
- Report date:
- 1991
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Methyl O-(4-amino-3,5-dichloro-6-fluoropyridin-2-yloxy)acetate
- EC Number:
- 407-550-4
- EC Name:
- Methyl O-(4-amino-3,5-dichloro-6-fluoropyridin-2-yloxy)acetate
- Cas Number:
- 69184-17-4
- Molecular formula:
- Hill formula: C8 H7 Cl2 F N2 O3 CAS formula: C8 H7 Cl2 F N2 O3
- IUPAC Name:
- methyl 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate
- Details on test material:
- - Name of test material (as cited in study report): Fluroxypyr methyl ester
- Physical state: white crystalline powder
- Analytical purity: 99.7% w/w
- Purity test date: 26.09.1990
- Lot/batch No.: AGR 279096
- Expiration date of the lot/batch: September 1992
- Storage condition of test material: below 5 °C
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.22
- Temp.:
- 20 °C
- Details on results:
- Mean value of two determinations, 2.22 each. Equivalent Kow: 168.
Any other information on results incl. tables
Summary of HPLC/UV chromatographic data for determination of Kow of substance (pure):
Standard or sample |
Component |
tR (s) |
k |
log k |
log Kow |
Standard Run 3 (t0 = 84) |
acetanilide |
180 |
1.143 |
0.058 |
1 |
p-chloroaniline |
236 |
1.810 |
0.258 |
1.83 |
|
nitrobenzene |
292 |
2.476 |
0.394 |
1.9 |
|
anisole |
388 |
3.619 |
0.559 |
2.1 |
|
ethyl benzoate |
596 |
6.095 |
0.785 |
2.6 |
|
benzophenone |
758 |
8.024 |
0.904 |
3.2 |
|
Sample 1 (t0 = 84) |
substance (pure) |
378 |
3.500 |
0.544 |
2.22 |
Sample 2 (t0 = 88) |
substance (pure) |
396 |
3.500 |
0.544 |
2.22 |
Standard Run 4 (t0 = 86) |
acetanilide |
184 |
1.140 |
0.057 |
1 |
p-chloroaniline |
240 |
1.791 |
0.253 |
1.83 |
|
nitrobenzene |
298 |
2.465 |
0.392 |
1.9 |
|
anisole |
396 |
3.605 |
0.557 |
2.1 |
|
ethyl benzoate |
604 |
6.023 |
0.780 |
2.6 |
|
benzophenone |
770 |
7.953 |
0.901 |
3.2 |
For better accuracy the mean calibration curve of Runs 3 and 4 was used for the bracketing reference injections.
The curve produced was:
log Kow = 2.263 log k + 0.993
where k denotes capacity factor: k = (tR-t0)/t0, tR - measured retention time, t0 - deadtime of I.D.S.
Applicant's summary and conclusion
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