Registration Dossier
Registration Dossier
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EC number: 249-854-8 | CAS number: 29797-40-8
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:
- 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.2 - 4.3
- Temp.:
- 25 °C
- pH:
- 7.2
- Details on results:
- The log Pow of DCT is calculated based on its retention time and the HPLC calibration curve obtained from measuring the calibration substances possessing known water solubilities.
- Conclusions:
- The log Pow of the DCT mixture is 4.2 - 4.3 at pH = 7.2 and 25°C.
- Executive summary:
The log Pow of the DCT mixture is 4.2 - 4.3 at pH = 7.2 and 25 °C as determined with the HPLC method based on OECD Guidelines for Testing of Chemicals No: 117.
Reference
The partition coefficient of the DCT mixture is deduced from the capacity factor (k), given by the expression where, tR is the retention time of the test item, and t0 is the dead-time, i.e. the average time a solvent molecule needs to pass the column:
Capacity factor k’ = (tR– t0)/t0
tR: Retention time of the substance
t0: dead time
Effective correlation log k’ = a + b log Pow
Linear regression gives:
a = -0.60469
b = 0.28288
r = 0.9979
where a and b are the regression factors and r is the correlation factor.
Description of key information
In the key study, the log Pow of the DCT mixture is 4.2 - 4.3 (mean: 4.25) as determined with the HPLC method based on OECD Guidelines for Testing of Chemicals No: 117 (Neuland, 2010). This value approximately lies within the range of 3.83 - 4.29 for other sources (experimental and QSAR) of partition coefficients of the individual DCT isomers (ChemIDplus, 2009; EPIWIN, 2009; Hansch & Leo, 1995; Verschueren, 1996).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.25
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
