Registration Dossier
Registration Dossier
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EC number: 263-961-7 | CAS number: 63149-24-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- March 04, 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1,1,2-trimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium
- EC Number:
- 263-961-7
- EC Name:
- 1,1,2-trimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium
- Cas Number:
- 63149-24-6
- Molecular formula:
- C19H23NO3S
- IUPAC Name:
- 1,1,2-trimethyl-3-(4-sulfobutyl)-1H-benzo[e]indol-3-ium
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 0.13
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- -0.9
- Temp.:
- 20 °C
- pH:
- 7
Applicant's summary and conclusion
- Conclusions:
- The shake flask method at pH 7 was applied for the determination of the partition coefficient (Pow) of V173671.
The Pow value of the test item was 1.3 x 10^-1. It corresponds with a log Pow value of -0.9.
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