Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study according to EU / OECD guideline.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
sodium 4-(methoxycarbonyl)-5-oxo-2,5-dihydrofuran-3-olate
EC Number:
627-063-2
Cas Number:
1134960-41-0
Molecular formula:
C6H5O5Na
IUPAC Name:
sodium 4-(methoxycarbonyl)-5-oxo-2,5-dihydrofuran-3-olate

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
-1.4
Temp.:
23 °C
pH:
1
Type:
Pow
Partition coefficient:
0.044
Temp.:
23 °C
pH:
1
Type:
log Pow
Partition coefficient:
-3
Temp.:
23 °C
pH:
7
Type:
Pow
Partition coefficient:
0.001
Temp.:
23 °C
pH:
7

Applicant's summary and conclusion

Conclusions:
The results show that the partition coefficient of BCS-CL71543, technical substance, is pH dependent.
logPow=-1.4 (pH=1)
logPow= -3.0 (pH=7)