Registration Dossier
Registration Dossier
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EC number: 204-970-8 | CAS number: 129-93-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2016 - 2017
- 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:
- 2 017
- Report date:
- 2017
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:
- 6,8-dianilinonaphthalene-1-sulphonic acid
- EC Number:
- 204-970-8
- EC Name:
- 6,8-dianilinonaphthalene-1-sulphonic acid
- Cas Number:
- 129-93-1
- Molecular formula:
- C22H18N2O3S
- IUPAC Name:
- 6,8-bis(phenylamino)naphthalene-1-sulfonic acid
- Test material form:
- solid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.81
- Temp.:
- 23 °C
- pH:
- > 7.6 - < 7.7
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 |
27.3 |
5.29 |
0.71 |
A2 |
5 |
10 |
26.8 |
5.05 |
0.72 |
B1 |
10 |
10 |
30.5 |
3.67 |
0.92 |
B2 |
10 |
10 |
30.3 |
3.80 |
0.90 |
C1 |
20 |
10 |
30.5 |
2.14 |
(1.15) outlier |
C2 |
20 |
10 |
33.5 | 0.88 | (1.58) outlier |
| mean | 0.81 |
HPLC conditions:
Column : Ascentis Express C18, 150 mm x 4.6 mm ID, 4 µm
Eluent A : water + 0.1 % (v/v) trifluoroacetic acid
Eluent B : acetonitrile + 0.1 % (v/v) trifluoroacetic acid
Gradient : 0 min 10 % B
: 10 min 90 % B
: 12 min 90 % B
: 12,1 min 10 % B
: 17 min 10 % A
Flow rate : 1.2 ml/min
Temperature : 50 °C
Detector : UV, 275 nm Inj. Volume : 10 μl (water phases) and 5 μl (n-octanol phases)
Recovery rate: 63 - 75%
Applicant's summary and conclusion
- Conclusions:
- The Log Pow of the substance is 0.81 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 0.81 at 23°C.
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