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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2003-02-26 to 2003-05-05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes
Remarks:
Report represents data generated in the “spirit of” Good Laboratory Practice. GLP deviations were that a Study Plan was not written, however Study-Specific Supplements were provided to study personnel describing laboratory work in detail.
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (as cited in study report): Jeffcat ZF-10, 2-((2-(2-(dimethylamino)ethoxy)ethyl)methyl-amino)-ethanol
- Substance type: Amine
- Physical state: clear, colourless liquid
- Analytical purity: 99%
- Lot/batch No.: 324756
- Storage condition of test material: 22 °C in the dark
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
-0.48
Temp.:
26 °C
pH:
11
Type:
Pow
Partition coefficient:
0.331
Temp.:
26 °C
pH:
11
Details on results:
- The pHs of the Aqueous Test Phases were estimated at 11, based on the calculated pKa of 8.9.
- The overall mass balance was 103 ± 5 % (based on observed concentrations of the test substance in the Octanol and Aqueous Test Phases)
- The observed log Pow values ranged from 0.324 to 0.345, with an average of 0.331 ± 0.008 (log10(Pow) = -0.48 ± 0.01) at 26 °C.

The calibration curve from the calibration solutions showed a linear regression correlation coefficient of 0.9992, indicating acceptable method precision for the analysis of the test substance. The Limit of Detection (LOD) was estimated at 8 micrograms/mL.

Conclusions:
The test substance was detected in all Octanol and Aqueous Test Phases and a Partition Corfficient (Pow) of 0.331 ± 0.008 (log10(Pow) = -0.48 ± 0.01 at 26°C was determined.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
1990-06-27 to 1990-07-03
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study conducted according to methods described in EEC Directive 67/548, Annex V, A8, as published in 84/449/EEC. Study follows GLP. Study methods similar to OECD guideline 107.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (as cited in study report): Jeffcat ZF-10, 2-((2-(2-(dimethylamino)ethoxy)ethyl)methyl-amino)-ethanol
- Substance type: Amine
- Physical state: Clear colourless liquid
- Analytical purity: 99%
- Lot/batch No.: 324756
- Storage condition of test material: 22 °C in the dark
Analytical method:
other: Gas chromatography
Type:
log Pow
Partition coefficient:
-0.55
Temp.:
23 °C
pH:
10.15
Conclusions:
The partition coefficient (n-octanol/water) of the test substance has been determined to be log Pow= -0.55 at 23°C.

Description of key information

The partition coefficient of the test substance was determined to be 0.331 ± 0.008 (log10(Pow) = -0.48 ± 0.01 at 26°C) according to the OECD guideline 105 performed by BC Research Inc. (2003). GLP deviations were that a study plan was not written, however study-specific supplements were provided to study personnel describing laboratory work in detail. The study was considered to be reliable without restrictions (Klimisch 1).

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.48
at the temperature of:
26 °C

Additional information

A supporting study according to the OECD 105, performed by Huntingdon Research Centre Ltd. (1990) and considered to be reliable without restrictions (Klimisch 1) reports a log Pow of -0.55 at 23°C which is in line with the key value.