Registration Dossier
Registration Dossier
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EC number: 227-133-9 | CAS number: 5675-51-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 20 Oct 2017 to 25 Jan 2018
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.1
- Remarks on result:
- other: at neutral pH
- Details on results:
- -Pow Calculation
The Pow of the test item was calculated to be 1.8 x 10^3 (log Pow 3.3) using the Rekker calculation method.
-pKa Values
No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithm range of 1 - 14 were calculated.
-HPLC Method
In the chromatogram of the test solution, one major test item peak was observed. The equation of the regression line was: log k’ = 0.336 ´ log Pow – 0.865 (r = 0.995, n = 16). - Conclusions:
- The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of Dodecane-1,12-diol. The Pow and log Pow value of the test item at neutral pH were 1.3 x 10^3 and 3.1, respectively.
- Executive summary:
The test procedure was Method 117 specified in the OECD Guidelines for Testing of Chemicals.
The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of Dodecane-1,12-diol. The log Pow value of the test item at neutral pH was 3.1.
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.1
- at the temperature of:
- 20 °C
Additional information
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