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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
2006
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer); method similar to Annex V, A.8, 1.6.1, Directive 67/548/EEC
Cross-reference
Reason / purpose for cross-reference:
reference to same study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Principles of method if other than guideline:
Based on the determined solubilities in water and in n-octanol the partition coefficient was estimated (chapter 1.6.1, A.8). Instead of saturated solvent
systems pure solvents were used.
Type of method:
other: calculation from individual solubilities
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Hydrogen [[[(2-ethylhexyl)amino]sulphonyl][[(3-methoxypropyl)amino]sulphonyl]-29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cuprate(1-), compound with N,N'-di(o-tolyl)guanidine (1:1)
EC Number:
276-657-4
EC Name:
Hydrogen [[[(2-ethylhexyl)amino]sulphonyl][[(3-methoxypropyl)amino]sulphonyl]-29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cuprate(1-), compound with N,N'-di(o-tolyl)guanidine (1:1)
Cas Number:
72428-99-0
Molecular formula:
C32H13CuN8O4S2.(SO3H)m.(C4H11NO)n.(C8H18N) (3-m-n).C15H17N3
IUPAC Name:
hydrogen [[[(2-ethylhexyl)amino]sulphonyl][[(3-methoxypropyl)amino]sulphonyl]-29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cuprate(1-), compound with N,N'-di(o-tolyl)guanidine (1:1)

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
4.1
Temp.:
24 °C
pH:
ca. 7

Any other information on results incl. tables

Solubility of Solvent Blue 44 in n-octanol: 697 mg/l

Water solubility of Solvent Blue 44 : 59 µg/l

Pow SBl 44 = 11814

log Pow SBl44 = 4.1

Applicant's summary and conclusion

Conclusions:
The Log Pow of the substance is 4.1at 24°C (ambient temperature)
Executive summary:

The partition coefficient n-octanol/water was calculated from the individual solubilities of the substance in each of these solvents.

The analytical method for the determination is in agreement with the method that was agreed upon at the “Analytical Experts Meeting” of ETAD (Basel) on January 12, 2005.

The water solubility (chapter 4.8) was determined as 59 µg/L and the n-octanol solubility (chapter 4.9) as 697 mg/L (24°C, ambient temperature).

Out of these results the Log Pow can be calculated as 4.1