Dilithium disodium (5,5'-diamino-(μ-4,4'-dihydroxy-1:2-κ-2,O4,O4',-3,3'-[3,3'-dihydroxy-1:2-κ-2-O3,O3'-biphenyl-4,4'-ylenebisazo-1:2-(N3,N4-η:N3',N4'-η)]-dinaphthalene-2,7-disulfonato(8)))dicuprate(2-)

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1990-10-10 to 1991-03-11

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline-conform study under GLP without deviations.

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1991

Report date:

1991

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Deviations:

yes

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

yes

Principles of method if other than guideline:

Based on the relatively high water solubility of the registered substance (> 500 g/l , see respective endpoint entry), a partition coefficient below the sensitivity range (log Pow 0 to 6) of the test method was expected. Therefore a preliminary test was performed to determine the solubility in n-octanol. The log Pow value estimated from the ratio of the maximum solubility of the substance in n-octanol and water was far below the sensitivity range of the test method.
From the determination of the surface tension of an aqueous solution of the substance (see respective endpoint entry), it was concluded that the substance must be regarded as a surface active material. From these two facts it was concluded that the main study could not be performed

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Dilithium disodium (5,5'-diamino-(μ-4,4'-dihydroxy-1:2-κ-2,O4,O4',-3,3'-[3,3'-dihydroxy-1:2-κ-2-O3,O3'-biphenyl-4,4'-ylenebisazo-1:2-(N3,N4-η:N3',N4'-η)]-dinaphthalene-2,7-disulfonato(8)))dicuprate(2-)

EC Number:

407-230-4

EC Name:

Dilithium disodium (5,5'-diamino-(μ-4,4'-dihydroxy-1:2-κ-2,O4,O4',-3,3'-[3,3'-dihydroxy-1:2-κ-2-O3,O3'-biphenyl-4,4'-ylenebisazo-1:2-(N3,N4-η:N3',N4'-η)]-dinaphthalene-2,7-disulfonato(8)))dicuprate(2-)

Cas Number:

126637-70-5

Molecular formula:

Hill formula: C32 H16 Cu2 Li2 N6 Na2 O16 S4 CAS formula: C32 H16 Cu2 N6 O16 S4. 2Li 2Na

IUPAC Name:

dicopper(2+) dilithium(1+) disodium 4,4'-bis[2-(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-[1,1'-biphenyl]-3,3'-bis(olate)

Study design

Analytical method:

photometric method

Results and discussion

Partition coefficient

Partition coefficient 1

Type:

log Pow

Partition coefficient:

< -4.4

Temp.:

20 °C

pH:

>= 0 - <= 14

Remarks on result:

other: Estimate based on the ratio of the solubilities in n-octanol and water.

Partition coefficient 2

Type:

Pow

Partition coefficient:

21

Temp.:

20 °C

pH:

>= 0 - <= 14

Remarks on result:

other: Estimate based on the ratio of the solubilities in n-octanol and water.

Details on results:

pH not reported, however it is assumed that the measurement was being conducted within the neutral pH range.

Any other information on results incl. tables

Because the substance is a surface active material (see respective endpoint RSS) and because the estimated log Pow value < -4.4 is far out of range of the HPLC method (0 < log Pow < 6), the main study was not performed.

Applicant's summary and conclusion

Conclusions:

The partition coefficient was estimated to be log Pow < -4.4.