1,4-bis(isopropylamino)anthraquinone

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 8 OCTOBER 2018 to 16 OCTOBER 2018

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:

other: Commission Regulation (EU) 2016/266 adopted 7. December 2015 amending Regulation EC No. 440/2008, Method A.24 “Partition Coefficient (N-OCTANOL/WATER), HIGH PERFORMANCELIQUID CHROMATOGRAPHY (HPLC) METHOD

Version / remarks:

Commission Regulation (EU) 2016/266 adopted 7. December 2015 amending Regulation EC No. 440/2008, Method A.24 “Partition Coefficient (N-OCTANOL/WATER),
HIGH PERFORMANCELIQUID CHROMATOGRAPHY (HPLC) METHOD

Deviations:

yes

Remarks:

The pH values of the mobile phase and of the test item solution were not estimated. This deviation was considered uncritical since the pH value of the mobile phase always is approx. 6 (empirical value).

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

OECD Guidelines for the Testing of Chemicals, Method No. 117, adopted 13. April
2004: “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method“.

Deviations:

yes

Remarks:

The pH values of the mobile phase and of the test item solution were not estimated. This deviation was considered uncritical since the pH value of the mobile phase always is approx. 6 (empirical value).

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:

1,4-bis(isopropylamino)anthraquinone

EC Number:

238-101-9

EC Name:

1,4-bis(isopropylamino)anthraquinone

Cas Number:

14233-37-5

Molecular formula:

C20H22N2O2

IUPAC Name:

1,4-bis[(propan-2-yl)amino]-9,10-dihydroanthracene-9,10-dione

Test material form:

solid: particulate/powder

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

ca. 5.2

Temp.:

25 °C

pH:

ca. 6

Details on results:

The correlation log k / log POW is good: the coefficient of determination r2 was calculated as
0.9917. This value was considered as sufficiently high to use the calibration function for
the determination of the log POW of the test item 1,4-bis(isopropylamino)anthraquinone.
Using the correlation log k / log Pow of the test item 1,4-bis(isopropylamino)anthraquinone
was calculated as 5.232 ± 0.000 (mean ± standard deviation).
Therefore, at a temperature of 25 ± 0.5°C, the log Pow of the test item is stated as:
5.232 ± 0.000 (mean ± standard deviation).
Therefore, the log POW of the test item 1,4-bis(isopropylamino)anthraquinone is stated as
5.2.
No observations were made which might cause doubts concerning the validity of the study
outcome.

Applicant's summary and conclusion

Conclusions:

The correlation log k / log POW is good: the coefficient of determination r2 was calculated as
0.9917. This value was considered as sufficiently high to use the calibration function for
the determination of the log POW of the test item 1,4-bis(isopropylamino)anthraquinone.
Using the correlation log k / log Pow of the test item 1,4-bis(isopropylamino)anthraquinone
was calculated as 5.232 ± 0.000 (mean ± standard deviation).
Therefore, at a temperature of 25 ± 0.5°C, the log Pow of the test item is stated as:
5.232 ± 0.000 (mean ± standard deviation).
Therefore, the log POW of the test item 1,4-bis(isopropylamino)anthraquinone is stated as
5.2.
No observations were made which might cause doubts concerning the validity of the study
outcome.