Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2016 - 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods

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)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
6,8-dianilinonaphthalene-1-sulphonic acid
EC Number:
204-970-8
EC Name:
6,8-dianilinonaphthalene-1-sulphonic acid
Cas Number:
129-93-1
Molecular formula:
C22H18N2O3S
IUPAC Name:
6,8-dianilinonaphthalene-1-sulfonic acid
Test material form:
solid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.81
Temp.:
23 °C
pH:
> 7.6 - < 7.7

Any other information on results incl. tables

Results in detail

 Determ. No  stock solution [ml]  water [ml]

 test substance conc

in n-octanol [mg/L]

test substance conc

in water [mg/L]

 Log Pow

A1 

 5

 10

 27.3

5.29 

 0.71

 A2

 5

10 

26.8

5.05

 0.72

 B1

 10

 10

 30.5

 3.67

 0.92

 B2

 10

 10

 30.3

 3.80

 0.90

 C1

 20

 10

 30.5

 2.14

(1.15) outlier

 C2

 20

 10

 33.5  0.88  (1.58) outlier
 mean          0.81

HPLC conditions:

Column : Ascentis Express C18, 150 mm x 4.6 mm ID, 4 µm

Eluent A : water + 0.1 % (v/v) trifluoroacetic acid

Eluent B : acetonitrile + 0.1 % (v/v) trifluoroacetic acid

Gradient : 0 min 10 % B

: 10 min 90 % B

: 12 min 90 % B

: 12,1 min 10 % B

: 17 min 10 % A

Flow rate : 1.2 ml/min

Temperature : 50 °C

Detector : UV, 275 nm Inj. Volume : 10 μl (water phases) and 5 μl (n-octanol phases)

Recovery rate: 63 - 75%

Applicant's summary and conclusion

Conclusions:
The Log Pow of the substance is 0.81 at 23°C.
Executive summary:

The Partition Coefficient n-octanol/water of the substance was determined according to OECD 107 with the shake flask method and was found to be 0.81 at 23°C.