Registration Dossier
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EC number: 700-342-7 | CAS number: 1163775-81-2
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:
- 2008
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study performed according to internationally accepted testing guideline, well documented.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/A
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 17.2 - 24.8
- Temp.:
- 25 °C
- pH:
- 7
- Details on results:
- With the adopted conditions the four main constituents of the tested substance eluate after the reference substances which has the highest log Pow value (6.5).
The partition coefficients of the substance constituents were then estimated by means of extrapolation from the calibration curve obtained using available reference substances which have log Pow > 3.3. - Conclusions:
- The Log Kow of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester range from 17.2 -24.8
- Executive summary:
The partition coefficient of 1,2,4 -benzenetricarboxylic acid, mixed dodecyl and octyl triesters was not specifically determined. However, data are available for a structurally related material (1,2,4-Benzenetricarboxylic acid, decyl octyl ester), the only difference being the presence of esters with a shorter alkyl chain (C10 instead of C12). Due to the structural similarity of the test substance compared to the submission substance the available data can be used for read-across.
Reference
Experimental results of the main components of the test substance
| DIPLAST TM 8 -10 | RT | K (estimated) | logK | log Pow (1) | % (2) | log Pow QSPR (3) |
| 1st peak | 8.49 | 9.21 | 0.96 | 17.2 | 13.0 | 11.8 |
| 2nd peak | 11.36 | 12.67 | 1.10 | 19.6 | 36.4 | 12.8 |
| 3rd peak | 15.47 | 17.61 | 1.25 | 22.2 | 37.3 | 13.8 |
| 4th peak | 21.32 | 24.65 | 1.39 | 24.8 | 13.3 | 14.7 |
(1) estimated values obtained by extrapolation from the calibration curve
(2) relative percentage determined via normalization of th four main peaks detected by HPLC
(3) values estimated with the software QSPR KowWin v1.67 supplid by ECHA
Description of key information
The Log Kow of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester range from 17.2 -24.8
The most conservative value was used for the assessment
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 24.8
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of 1,2,4 -benzenetricarboxylic acid, mixed dodecyl and octyl triesters was not specifically determined. However, data are available for a structurally related material (1,2,4-Benzenetricarboxylic acid, decyl octyl ester), the only difference being the presence of esters with a shorter alkyl chain (C10 instead of C12). Due to the structural similarity of the test substance compared to the submission substance the available data can be used for read-across.
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