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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
The reliability is rated 2 because the study is well documented and meets the method recommended in the R7 REACH Guideline: the comparison (ratio) of measured solubilities in octanol and in water separately. The results were reviewed for reliability and assessed as valid. No GLP condition. This is not a validated method but this was the only suitable method since the test item is an organic salt.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2011

Materials and methods

Test guidelineopen allclose all
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
equivalent or similar to guideline
Guideline:
other: Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance
GLP compliance:
no
Type of method:
other: comparison of measured solubilities in octanol and in water separately
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis and tris and tetra (4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium) [12,21-dihydro-29H,31H-phthalocyanine-bis and tris and tetrasulfonato-k4N29,N30,N31,N32]cuprate
EC Number:
700-615-0
Molecular formula:
BIS: C82H74N14CuS2O6 TRIS: C107H103N17CuS3O9 TETRA: C132H132N20CuS4O12
IUPAC Name:
Bis and tris and tetra (4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium) [12,21-dihydro-29H,31H-phthalocyanine-bis and tris and tetrasulfonato-k4N29,N30,N31,N32]cuprate
Details on test material:
- Name of test material (as cited in study report): Sepisol Fast Violet 3B
- Substance type: organocopper
- Appearance/Physical state: solid dark violet powder
- Lot/batch No.:028942
- Stability under test conditions:stable
- Storage condition of test material: at ambient temperature

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
>= 6.9
Temp.:
22 °C

Any other information on results incl. tables

Solubility in water: between 0.01 mg/L and 0 mg/L

Solubility in octanol: 80000 mg/L

log P = log (conc in oct / conc in water) = between 6,90 and the infinity

Applicant's summary and conclusion

Conclusions:
The comparison of measured solubilities in octanol and in water separately (as advised in the R7a ECHA REACH Guideline) was the only applicable method for such a substance. The extrapolated log Kow value for Sepisol fast Violet 3B was calculated to be in between 6.90 and the infinity . Indeed the hydrosolubility tends toward 0.