N,N'-bis(2,4,6-triisopropylphenyl)methanediimine

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-01-19 - 2018-03-19

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Version / remarks:

Council Regulations EC No 440/2008, Guideline Part A – Methods for the Determination of the physical-chemical properties, A.8, “Partition Coefficient” (adopted, May 2008)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

OECD guideline for testing of chemicals No: 117 “Partition Coefficient (n-octanol/water)“ (adopted 13 April 2004)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

N,N'-bis[2,4,6-tris(propan-2-yl)phenyl]methanediimine

EC Number:

815-171-4

Cas Number:

300382-79-0

Molecular formula:

C31H46N2

IUPAC Name:

N,N'-bis[2,4,6-tris(propan-2-yl)phenyl]methanediimine

Test material form:

liquid

Remarks:

yellow to brown

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Partition coefficient 1

Key result

Type:

log Pow

Partition coefficient:

> 8.3

Temp.:

25 °C

pH:

ca. 7

Remarks on result:

not determinable

Remarks:

Because it is beyond the calibration range the value can only be extrapolated.

Partition coefficient 2

Key result

Type:

log Pow

Partition coefficient:

11.9

Temp.:

25 °C

pH:

ca. 7

Remarks on result:

other: extrapolated

Applicant's summary and conclusion

Conclusions:

The log Pow of item Bis(2,4,6-triisopropylphenyl)carbodiimide was determined in a OECD 117 study under GLP, all validity criteria were met, so the results are considered sufficiently reliable. The partition coefficient of the test item Bis(2,4,6-triisopropylphenyl)carbodiimide is determined to be greater than 8.3. Because it is beyond the calibration range the value can only be extrapolated. The log Pow is extrapolated to be approx. 11.9. Another analytical method (slow stirring method) was not carried out due to its limit to substances with a log Pow of <8.2.

Executive summary:

For the test item Bis(2,4,6-triisopropylphenyl)carbodiimide, the partition coefficient was determined by the HPLC-method according to OECD TG 117 under GLP.

The test item is a substance with one component. For the test item no pka values could be calculated. For determination of the Pow value the test item should be present in its non-ionic form. Therefore the pH value during the determination of the logPow was set to approx. pH 7.

Result: The logPow is determined to be greater than 8.3. Because it is beyond the calibration range the value can only be extrapolated. The logPow is extrapolated to be approx. 11.9.

All validity criteria have been met.