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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
other information
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004
Report Date:
2004

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.13
Temp.:
40 °C
pH:
> 11
Details on results:
Paritition coefficient of non ionised forms:
log Pow = 2.13 at pH >11 (40 °C) for C3RO
log Pow = 0.6 at pH <1 (40 °C) for C3RO

Any other information on results incl. tables

The Log P has been determined using HPLC method. The OECD
guidelines state that the test molecules must be in their
non ionised form when measured. We would expect that
mandelic acid would be non ionised in acid solution and C3RO would be non ionised in alkaline solution. To enable this log P values have been determined pH < 1, pH
about 6 and pH > 11. All the results have been calculated.
Instrument: Hewlett-Packard 1100 linked to a Waters
Millenium 32 datastation
Column: Zorbax Eclipse XDB-C8 150mm x 4.6mm i.d.; 5 micron
Eluent: A - 5:95 Acetonitrile : 25mM sodium phosphate buffer (pH 3.0)

B - 30:70 Acetonitrile : 25mM sodium phosphate
buffer (pH 3.0)


Gradient

Time        %A         %B

0           100          0

2           100          0

27          0          100

29          100          0

34          100          0


Flow rate: 1.5 ml/min

Wavelength: 208nm

Injection load: 10 ul

Temperature: 40°C.

Applicant's summary and conclusion