Registration Dossier
Registration Dossier
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EC number: 460-390-7 | CAS number: 26504-29-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: according to guideline, GLP compliant
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- ca. 6.25
- Temp.:
- 20 °C
- pH:
- ca. 7
- Details on results:
- A first run using water-methanol for elution gave a log Pow value of 6.4. A second run with wateracetonitrile was performed in order to check the result of an external study. The log Pow value obtained was 6.1, with a correlation coefficient siightly lower. The 2 results were nevertheless retained and the mean value proposed in this study for the log Pow of DIBENZYL TRITHIOCARBONATE was 6.25.
- Conclusions:
- a logKow of 6.25 is defined, as being the average of 2 determintations in different chromatographic conditions giving resp. 6.1 and 6.4
- Executive summary:
Using OECD GL 117 (HPLC method), 2 experiments were carried out with differents mobile phases: acetonitrile/water and methanol/water. The log Kow measured was respectively 6.1 and 6.4.
The temperature was 20°C
The average of the 2 experiments is used: logKow = 6.25.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: OECD 117, GLP compliant
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Principles of method if other than guideline:
- The partition coefficient is defined as the ratio of the equilibrium concentrations of the test item in a two-phase system consisting of two largely immiscible solvents. n-Octanol and water are generaly used:
Cn-Octanol
Pow = -----------------------
Cwater
The partition coefficient (P) is therefore the quotient of two concentrations and is usually given in the form of its logarithm to base 10: log10 Pow.
This principle is applied to DBTTC using the HPLC method. - GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: HPLC/UV
- Type:
- log Pow
- Partition coefficient:
- ca. 5.8
- Temp.:
- 24 °C
- pH:
- ca. 7
- Executive summary:
The partition coefficient of DBTTC (DiBenzylTriThioCarbonate) has been determined following the Directive 92/69/EEC (1992) - Method A8 and using the HPLC method.
The log10 Pow of DBTTC is equal to 5.8.
Referenceopen allclose all
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6
- at the temperature of:
- 20 °C
Additional information
Two studies were carried out using the HPLC method following the OECD TG 117 for DIBENZYL TRITHIOCARBONATE (DBTTC).
In the first one (Ricaud, 2005) a value of logKow = 5.8 is obtained at 24°C.
In the second one a value of 6.25 (at 20°C) is derived as the average of 2 experiments with different eluting solvents giving logKow = 6.4 and 6.1 resp.
The average of the two figures is used (6.0).
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