Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed according to OECD and EC guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report Date:
2007

Materials and methods

Test guideline
Qualifier:
according to
Principles of method if other than guideline:
HPLC method according to the following guidelines:


Organization for Economic Co-operation and Development
(OECD), OECD Guideline for Testing of Chemicals, Guideline
No. 117: "Partition Coefficient (n-Octanol/Water) High
Performance Liquid Chromatography (HPLC) Method", April 13,
2004.


European Economic Community (EEC), EEC directive 92/69 EEC,
Part A, Methods for the Determination of Physico-Chemical
Properties, A.8: "Partition Coefficient", EEC Publication
no. L383, December 1992.
GLP compliance:
yes (incl. certificate)
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): TC4ASO2
- Substance type: multi-constituent
- Physical state: white powder
- Analytical purity: 97.8%
- Composition of test material, percentage of components: 92.9% 4-tert-Butylsulfonylcalix(4)arene (CAS 204190-49-8)
4.9% 4-tert-Butylsulfonylcalix(8)arene
- Lot/batch No.: AYUI-1Y
- Expiration date of the lot/batch: 07 October 2007
- Stability under storage conditions: Stable
- Storage condition of test material: At room temperature in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
5.4
Temp.:
22 °C
pH:
1.8
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
22 °C
pH:
7
Details on results:
Neutral pH: The test substance elutes before the reference substance with known log Pow of 0.3 (ethylemthylketon): log Pow of the test substance is < 0.3 (Pow < 2.00).

pH 1.8: The chromatogram showed one large test substance peak (major component) and four small test substance peaks (minor component and/or impurities). The Pow was determined for peak areas > 1%:
log Pow major component= 5.4 (Pow = 2.68E5)
log Pow impurity/minor component= 5.7 (Pow= 4.58E5)

At neutral pH (representative for the environment), the test substance is expected to be at least partly ionised. At pH 1.8, the test substance is in its non-ionised form. Therefore, the log Pow value obtained at pH 1.8 was taken as the log Pow for this substance.

Applicant's summary and conclusion