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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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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:
guideline study
Remarks:
OECD 107

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Aluminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2-sulphonate)
EC Number:
278-207-2
EC Name:
Aluminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2-sulphonate)
Cas Number:
75431-69-5
Molecular formula:
C20H12N2O5S.1/3Al
IUPAC Name:
aluminum tris(7,14-dioxo-5,7,12,14-tetrahydroquino[2,3-b]acridine-2-sulfonate)
Constituent 2
Chemical structure
Reference substance name:
5,12-dihydroquino[2,3-b]acridine-7,14-dione
EC Number:
213-879-2
EC Name:
5,12-dihydroquino[2,3-b]acridine-7,14-dione
Cas Number:
1047-16-1
Molecular formula:
C20H12N2O2
IUPAC Name:
5,12-dihydroquino[2,3-b]acridine-7,14-dione

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-1.793
Temp.:
23 °C
pH:
ca. 7.6
Remarks on result:
other: mean of 6 measurements
Remarks:
the value refers to the main constituent CAS RN 75431-69-5

Any other information on results incl. tables

Table 1: Results

no.

stock solution [mL]

n-octanol [mL]

conc. in n-octanol phase [mg/L]

conc. in water phase [mg/L]

log pow

A1

5

10

0.14

10.5

- 1.88

A2

5

10

0.17

11.3

- 1.82

B1

10

10

0.13

11.9

- 1.96

B2

10

10

0.12

11.5

- 1.98

C1

20

10

0.12

10.3

- 1.93

C2

20

10

0.12

12.0

- 2.00

mean

-

-

-

-

- 1.93

Stock solution: 13.9 mg/L main constituent CAS RN 75431 -69 -5

The recovery rate of CAS RN 75431 -69 -5 was between 78 % and 87 %.

Applicant's summary and conclusion