Registration Dossier

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:
2016
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

Constituent 1
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
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