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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The calculation was using the scientific authoritative software program as recommended in Guideline
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
EPI Suite Results For CAS
Bibliographic source:
EPI Suite Version 4.0, online query 05.01.2012
Report date:
2012

Materials and methods

Principles of method if other than guideline:
The calculation was based on fragment method, using KOWWIN program (v1.67) cited in EPI Suite v4.00
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4,6-Tri(2,4-dihydroxyphenyl)-1,3,5-triazine
EC Number:
700-796-6
Cas Number:
2125-23-7
Molecular formula:
C21H15N3O6
IUPAC Name:
2,4,6-Tri(2,4-dihydroxyphenyl)-1,3,5-triazine
Details on test material:
- Substance type: organic
- Physical state: solid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.51
Temp.:
25 °C

Any other information on results incl. tables

calculated using KOWWIN program (v1.67)

Applicant's summary and conclusion