Nickel, 5-[2-(2-hydroxy-3,7-disulfo-1-naphthalenyl)diazenyl]-1H-1,2,4-triazole-3-carboxylate sodium complexes

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental period 20th September 2002 to 5th February 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Meets the criteria for classification as Reliable without restriction according to Klimisch et al (1997)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2004

Report date:

2004

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

443-510-2

EC Name:

-

Cas Number:

738587-10-5

Molecular formula:

C26H14N10Ni2O18S4 as free acid

IUPAC Name:

dinickel(2+) sodium 3-carboxy-5-[(1E)-2-(7-oxido-2,6-disulfonaphthalen-1-yl)diazen-1-yl]-1H-1,2,4-triazol-1-ide 3-carboxy-5-[(1E)-2-(7-oxido-2-sulfo-6-sulfonatonaphthalen-1-yl)diazen-1-yl]-1H-1,2,4-triazol-1-ide

Study design

Analytical method:

other: Spectrophotometric method (at 535 nm)

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

<= -3.2

Temp.:

20 °C

pH:

>= 7.6 - <= 7.9

Any other information on results incl. tables

The study was conducted at ambient temperature (approx 20 deg C)

Test  1  2  3  4  5  6  Weight of test substance (mg)  18.95  18.95  12.64  12.64  3.16  3.16  Volume of n-Octanol saturated water (ml)  18  18  24  24  12  12  Volume of water saturated n-octanol (ml)  18  18  12  12  24  24  Dilution of water phase with distilled/deionised water  5.0ml to 100ml  5.0ml to 100ml  5.0ml to 50ml  5.0ml to 50ml  2.0ml to 10ml  2.0ml to 10ml  Absorbance water phse at ~535nm, 1cm path length  1.462  1.458  1.463  1.457  1.479  1.480  Concentration in water phase in test dilution (mg/l)  52.1  52.0  52.1  51.9  52.7  52.8

Test  1  2  3  4  5  6  Concentration in water phase adjusted for dilution (mg/l)  1042 .0  1040.0  521.0  519.0  263.5  264.0  Amount detected in water phase (mg)  18.76  18.72  12.50  12.46  3.16  3.17  Absorbance of n-octanol phase at 533nm, 1cm path length  <0.008 <0.008   <0.008  <0.008  <0.008  <0.008  Conc in n-Octanol phase (mg/l)  <0.26  <0.26  <0.26  <0.26  <0.26  <0.26  Total amount detected (mg)  18.76  18.72  12.50  12.46  3.16  3.17  pH of aqueous phase  7.7  7.8  7.9  7.8  7.6  7.6  P x 10 -3*  <0.25  <0.25  <0.5  <0.5  <1.0  <1.0  Log P  <-3.602  <-3.602  <-3.301  <-3.301  <-3.000 <-3.000   Mean P x 10 -3  <0.6            Log of mean P  <-3.2

* P= Concentration in n-octanolphase/concentration in water phase.

Detection Limit for n-Octanol Phases

As the test substance is insoluble ili n-octanol a solution was prepared in distilled/deionised water and this diluted further with distilled water until a detection limit under the test conditions used was obtained.

A solution containing 0.26 mg/l of the test substance gave an absorbance of 0.008 at 533nm in a 1cm path length cell. The response of the test substance was assumed to be the same in distilled/deionised water and water saturated n-octanol.

Applicant's summary and conclusion

Conclusions:

Log P = <-3.2

Executive summary:

Introduction

The test method used was EU Method A.8 (Partition Coefficient) shake-flask method

Results and conclusions

Log P = <-3.2