Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
31st October 2017 to 1st December 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification:
4,4'-(1,3-Phenylenediisopropylidene) diphenylcyanate
Alternative Identification:
Arocy XU 366
Appearance/Physical state:
Yellow viscous liquid
Batch:
FAR366085A
Expiry / Retest date:
29 September 2019
Storage conditions:
Approximately 4 °C, in the dark
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.18
Temp.:
30 °C
pH:
6.4
Details on results:
The result from the preliminary estimate indicated that the HPLC method was suitable for determination of partition coefficient for this test item.
Three peaks were obtained during analysis at 8.5, 10.5 and 12.3 minutes. The largest peak at 8.5 minutes produced an area of approximately 85%, correlating to the purity of the test item. As such only the partition coefficient data for this peak has been reported.
Conclusions:
The partition coefficient of the test item has been determined to be 1.52 x 104, log10 Pow 4.18.
Executive summary:

Partition Coefficient (n-octanol/water). In the range 1.52 x 104 to 6.11 x 104, log10 Pow in the range 4.18 to 4.79, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
4.18
at the temperature of:
30 °C

Additional information