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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
1. SOFTWARE KOCWIN

2. MODEL (incl. version number) v2.00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL : none

Data source

Reference
Reference Type:
publication
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
- Software tool(s) used including version: KOCWIN V2.00
- Model(s) used: US EPA 2011

Test material

Constituent 1
Chemical structure
Reference substance name:
Tri(tridecyl) benzene-1,2,4-tricarboxylate
EC Number:
302-446-4
EC Name:
Tri(tridecyl) benzene-1,2,4-tricarboxylate
Cas Number:
94109-09-8
Molecular formula:
C48H84O6
IUPAC Name:
tri(tridecyl) benzene-1,2,4-tricarboxylate
Test material form:
liquid
Details on test material:
- Moisture content: <= 0.1%

Results and discussion

Adsorption coefficient
Key result
Type:
log Koc
Value:
ca. 11.4 dimensionless
Temp.:
25 °C

Applicant's summary and conclusion

Conclusions:
logKoc = 11.40 at 25°C (QSAR KOCWIN V2.00; US EPA 2011)