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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:
2020-12-01 to 2020-12-03
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2021
Report date:
2021

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

1
Chemical structure
Reference substance name:
(5Z)-5-(2-methylpropylidene)imidazolidine-2,4-dione
EC Number:
700-726-4
Cas Number:
1369499-44-4
Molecular formula:
C7H10N2O2
IUPAC Name:
(5Z)-5-(2-methylpropylidene)imidazolidine-2,4-dione
Test material form:
solid: particulate/powder

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
1.11
Temp.:
22.11 °C
pH:
7.109
Remarks on result:
other: SD +/- 0,01

Any other information on results incl. tables

Mass Balance for the Test Item in n-Octanol- and Aqueous Phase

 n-octanol / water ratio Nominal mass1)[mg]   Repl.  Meas. conc. in n-octanol [mg/L] Mass in n-octanol [mg]   Meas. conc. in aq. phase [mg/L]  Mass in aq. phase [mg] Sum mass [mg]   RR [%]
2:1     53.2    1  1434 47.3 115   1.96 49.3   93
 2

 1442

 47.6

112

 1.91

49.5

 93

1:1    

40.3   

 1

 1373

 34.3

 107

 2.68

37.0 

 92

 2

 1386

 34.6

108

 2.70

 37.3

 93

1:2

18.0

 1

 1319

 22.4

 97.8

 3.23

 25.7

 94

 2

 1309

 22.2

 97.7

 3.22

 25.5

 93

1) = Based on the measured concentration of the stock solution at test start

Repl. = Replicate

Meas. conc. = Measured concentration, mean value of two injections, dilution factors taken into account

aq. phase = Aqueous phase

RR = Recovery rate, related to the nominal

Concentrations in n-Octanol- and Aqueous Phase, log POW

n-octanol / water ratio

 Repl.

 Meas. conc. in n-octanol [mg/L]

 Meas. conc. in aq. phase [mg/L]

POW

log POW    

Diff

mean +/- SD (max-min)

2:1    

 1

 1434

115 

 12.5

1.10 

1.11

0.01

0.03

 

 2

1442

1112

 12.8

1.11 

1:1    

 1

1373

 107

 12.8

1.11 

 2

1386

 108

 12.8

 1.11

1:2

 1

1319

 97.8

 13.5

 1.13

 2

 1309

 97.7

 13.4

 1.13

SD = Standard deviation

Applicant's summary and conclusion

Conclusions:
The partition coefficient (n-octanol / water) of the test item was determined at 22.11 °C to be 1.11 ± 0.01.