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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
2016
Report date:
2016

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

1
Chemical structure
Reference substance name:
Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, [[3-(cyclohexylamino)propyl]amino]sulfonyl derivs.
EC Number:
309-627-7
EC Name:
Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, [[3-(cyclohexylamino)propyl]amino]sulfonyl derivs.
Cas Number:
100545-46-8
Molecular formula:
C32H16-τN8Cu.(SO3)m.(SO3H)p.(C9H19N2SO2)O.(C9H20N2SO2)n
IUPAC Name:
Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, [[3-(cyclohexylamino)propyl]amino]sulfonyl derivs.
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. 5.1
Temp.:
22 °C
Remarks on result:
other: pH not mentioned

Any other information on results incl. tables

Results

 

1.5 g of powder

Visual aspect of the testing solution before dilution

Very Blue

 

Filtration

Porosiy of 0,45 µm

Factor of dilution

2000

Spectrometry results:

(Cary 60 Agilent – Xenon lamp)

DO at 348 nm = 0.5392 u.Abs

DO at 673 nm = 1.4644 u.Abs

Calculated DO

DO at 348 nm = 1078.4 u.Abs

DO at 673 nm = 2928.8 u.Abs

DO of reference

(Concref= 7.80 mg/L)

DO at 348 nm = 0.3810 u.Abs

DO at 672 nm = 1.0410 u.Abs

Calculated

Concentration in Octanol

At 348 nm = 22077 mg/L

At 673 nm = 21945 mg/L

Log Kow

(Calculated DO x Concref)/ DOref

At 348 nm = 5.1

At 673 nm = 4.7

At 342 nm = main peak

At 673 nm = secondary 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 5.1 (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 5.1