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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study performed according to internationally accepted testing guideline, well documented.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008
Report Date:
2008

Materials and methods

Test guideline
Qualifier:
according to
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

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): DIPLAST TM 8-10
- Molecular weight: 546 - 630
- Substance type: not mentioned, indicate whether pure active substance, technical product, formulation or other.
- Physical state: not mentioned, indicate "gas", "solid" or "liquid"
- Analytical purity: about 100% (SDS)
- Impurities (identity and concentrations): not mentioned, specify if applicable
- Composition of test material, percentage of components: not mentioned, specify if applicable
- Isomers composition: not mentioned, specify if applicable
- Purity test date: not mentioned, provide if available
- Lot/batch No.: not mentioned, provide if available
- Sampling date: 2008-04-26
- Expiration date of the lot/batch: not mentioned, provide if available
- Stability under test conditions: not mentioned, provide if available
- Storage condition of test material: not mentioned, indicate if available
- Other:

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
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.

Any other information on results incl. tables

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

Applicant's summary and conclusion

Conclusions:
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.