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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:
07. Nov. 2019 - Jan. 2020
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)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - 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:
SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material: B1-5-10
- Expiration date of the lot/batch: 31. Jan. 2020
- Purity test date: not stated

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: The test item was stored in a closed vessel at room temperature (20 ± 5°C), dry, in the dark.
- Stability under storage conditions: assumed stable
- Stability under test conditions: assumed stable
- Solubility and stability of the test substance in the solvent/dispersant/vehicle/test medium: solubility to be determined
- Reactivity of the test substance with the solvent/vehicle /test medium (if applicable): not applicable
Analytical method:
liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 2.137 - <= 2.287
Temp.:
21 °C
pH:
ca. 13

 Validity

six log POWvalues should lie in a range of ± 0.3 units. This condition was fulfilled with a range of 0.198 units over all six replicates.
Conclusions:
The log POWof 1,12-Diaminododecane was determined at a temperature of 21 °C as
2.212 ± 0.075
Executive summary:

The study was performed using the shake flask method with saturated n-octanol and water solutions in order to determine the log POWvalue for1,12-Diaminododecanein accordance with OECD Guideline 107 and EU method A.8. As the test item is ionisable, an aqueous solution of 100 mM KOH was used instead of water.

Three volume ratios of saturated water : saturated n-octanol (4:1, 2:1, 1:1) were tested in duplicate, each. The separated phases were analysed using a validated method for LC/MS-MS (validation study 18060601G926, see chapter6.4).

The measurements of the phases gave the following log POWof the test item at the respective ratio:

Table3.1‑a      Results

Ratio

Mean log POW

Standard Deviation

Relative Standard Deviation [%]

4:1

2.135

0.005

0.2

2:1

2.220

0.032

1.4

1:1

2.282

0.046

2.0

 

The log POWof 1,12-Diaminododecane was determined at a temperature of 21 °C as

2.212 ± 0.075

(mean value ± standard deviation)

The pH value of the aqueous phases was in the range of 13.12 – 13.16 in all replicates.

 

Description of key information

The log POWof 1,12-Diaminododecane was determined at a temperature of 21 °C as

2.212 ± 0.075

Key value for chemical safety assessment

Log Kow (Log Pow):
2.2
at the temperature of:
21 °C

Additional information