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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
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.

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

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.

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.