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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 Aug 2018 - 16 Oct 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Sebacohydrazide
EC Number:
213-126-8
EC Name:
Sebacohydrazide
Cas Number:
925-83-7
Molecular formula:
C10H22N4O2
IUPAC Name:
sebacohydrazide
Test material form:
solid: particulate/powder
Details on test material:
Test item name (as stated in report): SDH
Test item storage: at room temperature protected from light

Study design

Analytical method:
other: UPLC-MS/MS

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
-0.8
Temp.:
20 °C
pH:
>= 7.3 - <= 7.4
Remarks on result:
other: no buffer applied
Key result
Type:
Pow
Partition coefficient:
0.17
Temp.:
20 °C
pH:
>= 7.3 - <= 7.4
Remarks on result:
other: no buffer applied
Details on results:
- Concentration analysed in the stock solution was 97.7 mg/L.
- Nominal quantity of the substance in each test sample: 0.195 mg.
- Recovery (range) for the test samples: 100% - 105%.
- The log Pow values were within the criterion range of ± 0.3 log units (see table below)

Any other information on results incl. tables

Table: Shake-flask results

Ratio
n-octanol : water [v:v]

Analyzed concentration

Pow

log Pow

pH

n-octanol
[g/L]

water
[g/L]

individual

mean

1:1

0.00481

0.0281

1.7x10-1

1.7x10-1

-0.8

7.4

 

0.00452

0.0282

1.6x10-1

 

-0.8

7.4

1:2

0.00393

0.0228

1.7x10-1

1.7x10-1

-0.8

7.4

 

0.00394

0.0236

1.7x10-1

 

-0.8

7.4

2:1

0.00649

0.0361

1.8x10-1

1.8x10-1

-0.7

7.3

 

0.00632

0.0368

1.7x10-1

 

-0.8

7.3

Mean

1.7x10-1

 

-0.8

 

Standard deviation

6.5x10-3

 

 

 

Applicant's summary and conclusion

Conclusions:
The log Pow of the substance at neutral pH and 20°C was determined to be -0.8.