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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
04/18/2013 to 04/19/2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Name: Dimercapto-1,8-dioxa-3,6-octane or 2,2'-[1,2-ethanediylbis(oxy)]bis(ethanethiol)
Trade name: DMDO
Chemical name: 2,2'-[1,2-ethanediylbis(oxy)]bis(ethanethiol)
CAS number: 14970-87-7
EC number: 239-044-2
Batch number/Supplier: 13/04/2012
Date of reception in the test facility: 04/04/13
Expiration date of the test item: -
Attributed GRL number: 0013/13
Main characteristics:
- appearance: slightly yellow liquid
- purity: 99.33 %
- water solubility: 15-20 g/L according to SDS
- relative density at 20°C: 1.14
- certificate of analysis reference: 13/04/2012
Key result
Type:
log Pow
Partition coefficient:
1.66
Temp.:
55 °C
pH:
7.5
Details on results:
As it can be seen in the 2nd table below, the 3 replicate determinations show that for the Partition Coefficient of DMDO, the log Pow mean value was 1.6. During the analysis, the temperature was 55 °C and the pH value was 7.5.

Products  Mean Retention Time (min) Value of log k' Value of log Pow
Formamide  0.62 - -
Acetylpyridine  0.85  -0.43066385 0.5
Acetanilide  1.03  -0.17960783 1.0
Benzyl alcohol  1.12  -0.09342169 1.1
Acetophenone  1.58  0.189879544 1.7
Benzene  2.68  0.521475531 2.1
Toluene  4.9  0.83905208 2.7

Retention time (min) Average retention time (min) Log Pow Average log Pow
1.55  1.55  1.6 1.6
1.55  1.6
1.55 1.6
Conclusions:
The objective of this study was to determine the Partition Coefficient of the test item by applying the procedure described in the OECD Guideline 117 Partition Coefficient (n-octanol/water), HPLC Method.
As it can be seen in the 2nd table, the 3 replicate determinations show that for the Partition Coefficient of test item, the log Pow mean value was 1.6.
Executive summary:

The objective of this study was to determine the Partition Coefficient of the test item by applying the procedure described in the OECD Guideline 117 Partition Coefficient (n-octanol/water), HPLC Method.

As it can be seen in the 2nd table, the 3 replicate determinations show that for the Partition Coefficient of test item, the log Pow mean value was 1.6. During the analysis, the temperature was 55 °C and the pH value was 7.5.

Description of key information

The objective of this study was to determine the Partition Coefficient of the test item by applying the procedure described in the OECD Guideline 117 Partition Coefficient (n-octanol/water), HPLC Method.

As it can be seen in the 2nd table, the 3 replicate determinations show that for the Partition Coefficient of test item, the log Pow mean value was 1.6. During the analysis, the temperature was 55 °C and the pH value was 7.5.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.6
at the temperature of:
55 °C

Additional information