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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
EC Number:
254-074-6
EC Name:
6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Cas Number:
38668-46-1
Molecular formula:
C9H13N7
IUPAC Name:
6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-0.06
Temp.:
25 °C
pH:
7.5
Details on results:
Partition coefficient (n-octanol/water): -0.06

Any other information on results incl. tables

PARTITION COEFFICIENT (n-OCTANOL/WATER) ACCORDING TO OECD 117

The results are reported below:

Calibration line of the reference standards

slope 1,4656

intercept 1,0740

correlation 0,9905

R2 0,9812

The calibration reference standards consist of 6 reference substances of known log POW: 4-Acetylpyridine, Aniline, Benzonitrile, Acetophenone, Methyl Benzoate and Trichloroethylene.

The standars chosen had a log POWbetween 0.5-2.4.

Results on the test item at pH 7.5:

Average Log POW

-0.055

Agreement [S1-S2]

0.007

 

DEVIATIONS

No deviations were recorded during the study.

Applicant's summary and conclusion

Conclusions:
The partition coefficient (n-octanol/water) of the test item was determined according to ‘OECD 117 – Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method’. The partition coefficient (n-octanol/water) proved to be -0.06.