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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
OECD 107

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Barbituric acid
EC Number:
200-658-0
EC Name:
Barbituric acid
Cas Number:
67-52-7
Molecular formula:
C4H4N2O3
IUPAC Name:
pyrimidine-2,4,6(1H,3H,5H)-trione

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-2.39
Temp.:
23 °C
pH:
ca. 3.2
Remarks on result:
other: mean of 6 measurements

Any other information on results incl. tables

Table 1: Results

no.

stock solution [mL]

n-octanol [mL]

conc. in n-octanol phase [mg/L]

conc. in water phase [mg/L]

log pow

A1

5

10

3.7

1023.4

- 2.44

A2

5

10

3.9

1022.0

- 2.42

B1

10

10

3.8

1044.4

- 2.44

B2

10

10

4.8

1035.1

- 2.34

C1

20

10

4.6

1048.3

- 2.36

C2

20

10

5.0

1058.0

- 2.32

mean

-

-

-

-

- 2.39

Stock solution: 986 mg/L

The recovery rate of the test substance was between 104 % and 108 %.

Applicant's summary and conclusion