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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
experimental study
Adequacy of study:
key study
Study period:
2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: testing method performed according to OECD107

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
not specified
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
428-410-9
EC Name:
-
Cas Number:
67014-36-2
Molecular formula:
C8H9N3O
IUPAC Name:
5-amino-6-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Any other information on results incl. tables

Results in detail: Stock solution: 734 mg/l

 determ. no. stock solution [ml] water [ml] test substance conc. in n-octanol phase [mg/l] test substance conc. in water phase [mg/l] log Pow 

A1

5 10 254,0 153,5 0,22
A2 5 10 269,1 154,5 0,24
B1 10 10 411,5 259,7 0,20
B2 10 10 462,2 264,6 0,24
C1 20 10 685,4 379,8 0,26
C2 20 10 599,5 385,5 0,19
mean   --- --- --- --- 0,22

Applicant's summary and conclusion

Conclusions:
Due to the partition coefficient n-octanol-water of 0.22 at 23°C bioaccumulation is not expected.
Executive summary:

The partition coefficient n-octanol/water was determined according to OECD 107. The result was LogPow=0.22 at 23°C.