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EC number: - | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- April 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
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:
- 27 July 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): Reaction mixture of 1,4-Butanediamine, 1,6-Hexanediamine and 1,4-Benzenedicarboxylic acid
- Substance type:White crystalline powder
- Physical state: powder
- Storage condition of the test material: At room temperature
Constituent 1
- Specific details on test material used for the study:
- Appearance/Physical state: white crystalline solid
Batch: NC2000S GG151024-03 BIN13
Purity: 100% product
Study design
- Analytical method:
- mass spectrometry
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -3.08
- Temp.:
- 22 °C
- pH:
- >= 6.5 - <= 6.6
- Details on results:
- 4.2.4.1 Preliminary Estimate
Solubility in n-octanol: <102 mg/L
Solubility in water: >1.01 x 104 mg/L
Approximate Pow: <1.01 x 10-2
Approximate Log10 Pow: <-2.00
4.2.4.2 Definitive Test
The absorbances obtained for the standard, stock and sample solutions in organic phase and Aqueous Phase are shown in tables 5& 6 (see below).
The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in table 7 (see below)
Any other information on results incl. tables
Table 5 Organic Phase
| Solution | Absorbance |
| Standard 1.02 mg/L | 0.050999 |
| Standard 1.01 mg/L | 0.054483 |
| Sample 1 | 0.039766 |
| Sample 2 | 0.037803 |
| Sample 3 | 0.087890 |
| Sample 4 | 0.045285 |
| Sample 5 | 0.062504 |
| Sample 6 | 0.042725 |
Table 6 Aqueous Phase
| Solution | Absorbance |
| Standard 10.2 mg/L | 0.48165 |
| Standard 10.1 mg/L | 0.47403 |
| Sample 1 | 0.48247 |
| Sample 2 | 0.47893 |
| Sample 3 | 0.48127 |
| Sample 4 | 0.48068 |
| Sample 5 | 0.47866 |
| Sample 6 | 0.48000 |
| Stock solution A | 0.47352 |
| Stock solution B | 0.47357 |
Table 7 total weights (mg) and analyzed concentration (mg/L) of the respective phases
Applicant's summary and conclusion
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