Registration Dossier

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 Dec 2009 to 11 Feb 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do no effect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2009

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Date of inspection: 15-09-2009 Date of Signature: 26-11-2009
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Cyclohexane-1,3-dione
EC Number:
207-980-0
EC Name:
Cyclohexane-1,3-dione
Cas Number:
504-02-9
Molecular formula:
C6H8O2
IUPAC Name:
cyclohexane-1,3-dione
Details on test material:
- Name of test material (as cited in study report): 1,3 cyclohexane dione
- Substance type: Powder
- Physical state: Solid
- Analytical purity: 1,3 Cyclohexane Dione >97% W/W
- Impurities (identity and concentrations): Sodium Chloride 1%W/W Maximum
Water 0.5%W/W Maximum
- Composition of test material, percentage of components: 1,3 Cyclohexane Dione 99.2% W/W
Sodium Chloride 0.25%W/W
Water 0.4%W/W

- Purity test date: 18 November 2009
- Lot/batch No.: 184731091224
- Expiration date of the lot/batch: 18 May 2010
- Radiochemical purity (if radiolabelling): N/A
- Stability under test conditions: Stable
- Storage condition of test material: approximately 4 deg C in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 0.461
Temp.:
21.4 °C
pH:
ca. 3.2
Details on results:
Results are detailed in attached full study report titled 1,3 CHD Project Number 0612/0065 Partition Coefficient

Any other information on results incl. tables

Further information is detailed in attached full study report titled 1,3 CHD Project Number 0612/0065 Partition Coefficient

Applicant's summary and conclusion

Conclusions:
The Partition Coefficient of the test material at pH 3.2 has been determined to be 2.89 @ 21.4 +/- 0.5 Deg C, Log10 Pow 0.461. The corrected
Partition Coefficient of the test material was calculated to be 0.0502, Log10 Pow -1.3 @ pH7
Executive summary:

Partition Coefficient.  2.89 at 21.4 ± 0.5°C and pH 3.2, log10Pow0.461, using the shake-flask method, Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008. The corrected partition coefficient of the test material was calculated to be 5.02 x 10-2, log10Pow-1.30 at pH 7.