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EC number: 700-726-4 | CAS number: 1369499-44-4
Partition coefficient
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:
- 2 021
- 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
- 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
1
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.
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