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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:
2018-01-05 to 2018-01-10
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
2004
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(N,N-dimethylpropane-1,3-diamine-N)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]cobalt(1+) chloride
EC Number:
284-943-5
EC Name:
Bis(N,N-dimethylpropane-1,3-diamine-N)[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]cobalt(1+) chloride
Cas Number:
84989-53-7
Molecular formula:
C42H44CoN12.Cl
IUPAC Name:
hydroxylamine
Test material form:
solid: particulate/powder

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
0.77
Temp.:
21 °C
pH:
>= 7.54 - <= 7.67
Details on results:
The determined values of the logarithms of the partition coefficients were within the acceptable range of ± 0.3 log units for each pH value.

Any other information on results incl. tables

Data for Pow determination:

Ratio water/n-octanol replicate concentration in water (mg/L) concentration in n-octanol (mg/) Pow log Pow Mean log Pow Overall mean log Pow
1/1 1 51.38 308.2 5.998 0.78 0.77 0.77
2 53.1 297.9 5.610 0.75
2/1 1 37.02 279.1 7.539 0.88 0.87
2 37.72 274 7.264 0.86
1/2 1 67.8 318.5 4.698 0.67 0.68
2 65.06 321.9 4.948 0.69

The pH during the determination was 7.5 -7.6.

Mass balance verification:

Ratio water/n-octanol replicate nominal amount in water (mg) determined amount in water (mg) nominal amount in n-octanol (mg) determined amount in n-octanol (mg) Mass balance (%)
1/1 1 15.06 2.06 12.330 14.39 95.60
2 2.12 11.920 14.04 93.20
2/1 1 9.42 1.85 6.980 8.83 93.70
2 1.89 6.850 8.74 92.80
1/2 1 18.83 1.7 15.930 17.63 93.60
2 1.63 16.100 17.73 94.20

Applicant's summary and conclusion

Conclusions:
The determined partition coefficient (log Pow) of test item at 21.0 ± 1 °C is 0.77 ± 0.09.
Executive summary:

The n-octanol/water partition coefficient of the test item was determined according to OECD guideline 107 and EC method A.8 (440/2008/EEC). For the determination of the n octanol/water partition coefficient of the test item the shake-flask method was used. The main test was performed in water at three different ratios of n-octanol and water. The concentration of the test item in the water phase and in the n octanol phase was used for the calculation of n octanol/water partition coefficient (Pow) and its decimal logarithm (log Pow).

The determined partition coefficient (log Pow) of test item at 21.0 ± 1 °C is 0.77 ± 0.09, at pH 7.5 -7.7. The determined value of the logarithm of the partition coefficient was within the acceptable range of ± 0.3 log units.