Registration Dossier
Registration Dossier
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EC number: 433-990-1 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Start: 2000-02-25 End: 2000-02-25
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2000
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 30 March 1989
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-(2-{2,4-dihydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]phenyl}propan-2-yl)phenyl 6-(-lambda5-diazynylidene)-5-oxo-5,6-dihydronaphthalene-1-sulfonate
- Molecular formula:
- C34H30N2O7S
- IUPAC Name:
- 4-(2-{2,4-dihydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]phenyl}propan-2-yl)phenyl 6-(-lambda5-diazynylidene)-5-oxo-5,6-dihydronaphthalene-1-sulfonate
- Reference substance name:
- 4-[2-(2,4-dihydroxy-5-{2-[4-({[6-(-lambda5-diazynylidene)-5-oxo-5,6-dihydronaphthalen-1-yl]sulfonyl}oxy)phenyl]propan-2-yl}phenyl)propan-2-yl]phenyl 6-(-lambda5-diazynylidene)-5-oxo-5,6-dihydronaphthalene-1-sulfonate
- Molecular formula:
- C44H34N4O10S2
- IUPAC Name:
- 4-[2-(2,4-dihydroxy-5-{2-[4-({[6-(-lambda5-diazynylidene)-5-oxo-5,6-dihydronaphthalen-1-yl]sulfonyl}oxy)phenyl]propan-2-yl}phenyl)propan-2-yl]phenyl 6-(-lambda5-diazynylidene)-5-oxo-5,6-dihydronaphthalene-1-sulfonate
- Test material form:
- solid
- Details on test material:
- Batch PW-9F-29
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.6
- Temp.:
- 22 °C
- pH:
- 6
- Remarks on result:
- other: non-esterified
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.3
- Temp.:
- 22 °C
- pH:
- 6
- Remarks on result:
- other: mono-ester
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.9
- Temp.:
- 22 °C
- pH:
- 6
- Remarks on result:
- other: di-ester
Applicant's summary and conclusion
- Conclusions:
- The partition coefficients (n-octanol/water) of the components in the test substance are 39, 1800 and 77000 (log Pow = 1.6, 3.3 and 4.9, respectively) at pH 6 and 22.0 ± 0.5°C.
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