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Physical & Chemical properties

Partition coefficient

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Administrative data

partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
03 Apr 2017 to 07 Apr 2017
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment

Data source

Reference Type:
study report
Report date:

Materials and methods

Test guideline
equivalent or similar to guideline
other: (EC) No 440/2008 (test methods pursuant to Regulation (EC) No 1907/2006) section A.6 and OECD guideline 105.
Principles of method if other than guideline:
1-Octanol solubility of a pigment powder is determined by use of the flask method. Pigment
particles are suspended in 1-octanol at a temperature somewhat above the test temperature.
When saturation is achieved, the mixture is cooled down and kept at the test temperature.
The solubility evaluation of the pigment particles is performed by visual observation. The
described test method is based on regulation (EC) No 440/2008 (test methods pursuant to
Regulation (EC) No 1907/2006) section A.6 and OECD guideline 105.

- Prepare a sample solution of 1mg sample / 10 liter 1-octanol in a 10L volumetric flask with
- Add a magnetic stirring element to the volumetric flask.
- Place the sample solution on a heating stirring plate and control the temperature to keep
the sample solution at least at 30°C for 72h. Record the temperature.
- After 72h, lower the temperature of the sample solution to 20 ± 0.5°C for at least 24h.
- Visually verify for undissolved particles in the sample solution.
- Filter the sample solution under vacuum over a 0.22μm Stericup-GV PVDF membrane.
- Inspect the filter membrane for pigment particles and document the observations.

- 10L volumetric flasks from Brand, Duran®, Class A
- 1-octanol from Merck (>99%, Merck reference 8.20931.2500)
- Magnetic stirrer with heating plate from IKA, Model C-MAG HS 7
- Analytical balance with reading accuracy of at least ±0.1mg from Mettler Toledo, Model
AE2005, S/N: J62549
- Thermibel P500 temperature sensor S/N: 44301
- 0.22μm PVDF membrane Stericup-GV vacuum filtration units from Millipore
- Vaccuubrand vacuüm system ME4C+2AK, S/N 38438402-384758
GLP compliance:
Type of method:
flask method
Partition coefficient type:

Test material

Constituent 1
Chemical structure
Reference substance name:
Xanthylium, 3,6-bis(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]-, molybdatetungstatephosphate
EC Number:
EC Name:
Xanthylium, 3,6-bis(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]-, molybdatetungstatephosphate
Cas Number:
Reaction product of 6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride with phosphotungstomolybdic acid
Test material form:
solid: nanoform
Details on test material:
Shape Category: spheroidal
Shape: spherical
Pure Shape:no
Typical Composition: ≤100%
range: >0; ≤100%

Particle size distribution & range
Shape Category: spheroidal
Percentile D10, typical value: 40nm
Percentile D10, range: ≥10; ≤60nm
Percentile D50, typical value: 60nm
Percentile D50, range: ≥40; ≤100nm
Percentile D90, typical value: 90nm
Percentile D90, range: ≥60; ≤150nm
Fraction in size range 1-100nm:≥50; ≤100%

structure: Amorphous
Pure structure: Yes

Specific Surface Area
Typical specific surface area: ca. 40m2/g
Range: ≥10; ≤200m2/g
Skeletal Density: 2.1 g/cm3

Surface Functionalisation/treatment
surface treatment applied no

Specific details on test material used for the study:
Product code: 0245F
batch: 280PE310516

Study design

Analytical method:
not specified

Results and discussion

Partition coefficient
Key result
log Pow
Partition coefficient:
20 °C
Remarks on result:
N-octanol <0.1 mg/L and water solubility<0.1 mg/L therefore estimate only provided
Details on results:
test item n-octanol solubility is < 0.1 mg/L and water solubility is <0.1 mg/L therefore Log P could not be accurately determined estimate only provided.

Applicant's summary and conclusion

Test item n-octanol solubility is < 0.1 mg/L and water solubility is <0.1 mg/L therefore Log P could not be accurately determined estimate only provided.