Registration Dossier
Registration Dossier
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EC number: 700-129-9 | CAS number: 2004-62-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Testing was conducted between 21 May 2009 and 08 June 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study under GLP and according to standard test procedures.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3,3'-(hexane-1,6-diyldiimino)dipropanenitrile
- EC Number:
- 700-129-9
- Cas Number:
- 2004-62-8
- Molecular formula:
- C12H22N4
- IUPAC Name:
- 3,3'-(hexane-1,6-diyldiimino)dipropanenitrile
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 30 °C
- pH:
- 11
- Type:
- log Pow
- Partition coefficient:
- < -1.63
- Temp.:
- 30 °C
- pH:
- 7
- Details on results:
- The test material has predicted dissociation constants of 8.92 +/- 0.19 and 8.27 +/- 0.19 (both aminic) using ACD/I-Lab Web Service (ACD/pKa 8.03); therefore the testing was performed at ph 11.0 to obtain the test material in its non-ionised form. A correction was made to obtain an estimated log10Pow value for the thest material at an environmentally relevant pH (pH 7).
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the material is less than 2.00. log10 Pow <0.30.
The test material has a corrected partitioncoefficient of less than 2.37 x 10 -2, log10P'ow<-1.63 at pH 7. - Executive summary:
The partition coefficient of the material is less than 2.00. log10 Pow <0.30.
The test material has a corrected partitioncoefficient of less than 2.37 x 10 -2, log10P'ow<-1.63 at pH 7.
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