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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

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

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: 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.
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, molybdatesilicate
EC Number:
263-778-2
EC Name:
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, molybdatesilicate
Cas Number:
62973-79-9
Molecular formula:
(C28H31N2O3)x.2SiO2.(MoO3)y x = 6-10 y = 7-25
IUPAC Name:
9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium; silanedione; trioxomolybdenum
Test material form:
solid: nanoform
Details on test material:
Shape
Shape Category: spheroidal
Shape: spherical
Pure Shape: Yes
Typical Composition: ≤100%
range: >0; ≤100%

Particle size distribution & range
Shape Category: spheroidal
Percentile D10, typical value: 60nm
Percentile D10, range: ≥10; ≤100nm
Percentile D50, typical value: 90nm
Percentile D50, range: ≥60; ≤150nm
Percentile D90, typical value: 120nm
Percentile D90, range: ≥90; ≤200nm
Fraction in size range 1-100nm: ≥50; ≤100%

Crystallinity
structure: Amorphous
Pure structure: Yes

Specific Surface Area
Typical specific surface area: ca. 45m2/g
Range: ≥10; ≤200m2/g
skeletal density: ca. 1,9 g/cm3

Surface Functionalisation/treatment
surface treatment applied no
Specific details on test material used for the study:
Product code:
batch: 280PE / 170903

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
1
Temp.:
20 °C
pH:
7
Remarks on result:
other:
Remarks:
N-octanol <0.1 mg/L and water solubility<0.1mg/L therefore estimate only provided
Details on results:
Test item n-octanol solubility is < 0.1mg/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

Conclusions:
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.