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EC number: 275-863-1 | CAS number: 71701-14-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Sodium bis[3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methylbenzenesulphonamidato(2-)]cobaltate(1-)
- EC Number:
- 275-863-1
- EC Name:
- Sodium bis[3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methylbenzenesulphonamidato(2-)]cobaltate(1-)
- Cas Number:
- 71701-14-9
- Molecular formula:
- C34H28Cl2CoN10O8S2.Na
- IUPAC Name:
- Cobaltate(1-), bis[3-[2-[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kO)-1H-pyrazol-4-yl]diazenyl-kN1]-4-(hydroxy-kO)-N-methylbenzenesulfonamidato(2-)]-, sodium (1:1)
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.28
- Temp.:
- 23 °C
- pH:
- > 7.8 - < 8
Any other information on results incl. tables
Results in detail
| Determ. No | stock solution [ml] | water [ml] | test substance conc in n-octanol [mg/L] |
test substance conc in water [mg/L] |
Log Pow |
A1 |
5 |
10 |
251.5 |
0.16 |
3.19 |
A2 |
5 |
10 |
257.2 |
0.09 |
3.45 |
B1 |
10 |
10 |
250.8 |
0.14 |
3.27 |
B2 |
10 |
10 |
253.7 |
0.13 |
3.29 |
C1 |
20 |
10 |
261.6 |
0.13 |
3.32 |
C2 |
20 |
10 |
260.6 | 0.17 | 3.19 |
| mean | 3.28 |
HPLC conditions:
Column : Aquasil C18, 150 mm x 4.6 mm ID, 3 µm
Eluent A : 0,05 mol/L Phosphoric acid/acetonitrile 95/5 (v/v)
Eluent B : acetonitrile
Gradient : 0 min 60 % A
: 10 min 0 % A
: 10,1 min 60 % A
: 15 min 60 % A
Flow rate : 1.5 ml/min
Temperature : 40 °C
Detector : UV, 263 nm Inj. Volume : 100 μl (water phases) and 5 μl (n-octanol phases)
Recovery rate: 98 - 102%
Applicant's summary and conclusion
- Conclusions:
- The Log Pow of the substance is 3.28 at 23°C.
- Executive summary:
The Partition Coefficient n-octanol/water of the substance was determined according to OECD 107 with the shake flask method and was found to be 3.28 at 23°C.
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