Trihydrogen [29H,31H-phthalocyaninetrisulphonato(5-)-N29,N30,N31,N32]cuprate(3-), compound with N,N'-di(o-tolyl)guanidine (1:3)

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Remarks:

estimation method (solubility ratio)

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

other: Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance

Principles of method if other than guideline:

Comparison of measured solubilities in octanol and in water separately

GLP compliance:

no

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Trihydrogen [29H,31H-phthalocyaninetrisulphonato(5-)-N29,N30,N31,N32]cuprate(3-), compound with N,N'-di(o-tolyl)guanidine (1:3)

EC Number:

277-086-3

EC Name:

Trihydrogen [29H,31H-phthalocyaninetrisulphonato(5-)-N29,N30,N31,N32]cuprate(3-), compound with N,N'-di(o-tolyl)guanidine (1:3)

Cas Number:

72928-60-0

Molecular formula:

C32H16-τN8Cu(SO3C15H18N3)τ

IUPAC Name:

Bis and tris and tetra [N-(2-methylanilino)-N’-(2-methylanilino) methaniminium][phthalocyaninesulfonato-κ4N29,N30,N31,N32]cuprate(II)

Test material form:

solid: particulate/powder

Study design

Analytical method:

photometric method

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

ca. 0.49

Temp.:

22 °C

Remarks on result:

other: pH not specified

Any other information on results incl. tables

Results

	2 g of powder
Visual aspect of the testing solution before dilution	Very dark blue
Filtration	Porosity of 0,45 µm
Factor of dilution	500
Spectrometry results: (Cary 60 Agilent – Xenon lamp)	DO at 344 nm = 0.2184 u.Abs
	DO at 668 nm = 0.5960 u.Abs
Calculated DO	DO at 344 nm = 109.2 u.Abs
	DO at 668 nm = 298 u.Abs
DO of reference (Concref=6.887 mmg/L)	DOrefat 345 nm = 0.3169 u.Abs
	Dorefat 669 nm = 0.8628 u.Abs
Calculated Concentration in Octanol	At 344 nm = 2373 mg/L
	At 668 nm = 2379 mg/L
Log Kow (Calculated DO x Concref)/ DOref	At 344 nm = 0.47
	At 668 nm = 0.49

 

At 344 nm = secondary peak

At 668 nm = main peak

For the results of the water solubility, see section 4.8 of the IUCLID dossier

Applicant's summary and conclusion

Conclusions:

The substance has an estimated Log Kow of 0.49 (solubilites in octanol-1 and water ratio).

Executive summary:

The Log Kow of the substance has been estimated by calculating the solubility ratio in octanol and water of the substance.

The Log Kow is estimated to be of 0.49