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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 18 November 2016 to 23 March 2017
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:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Deviations:
no
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:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
Reference substance 001
Cas Number:
210420-85-2
Constituent 2
Chemical structure
Reference substance name:
N-methyldidecylamine
EC Number:
230-990-1
EC Name:
N-methyldidecylamine
Cas Number:
7396-58-9
Molecular formula:
C21H45N
IUPAC Name:
N-decyl-N-methyldecan-1-amine
Constituent 3
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
Cas Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
Dihydrogen oxide
impurity 1
Reference substance name:
Unknown impurities
Molecular formula:
Not available
IUPAC Name:
Unknown impurities
Test material form:
solid
Details on test material:
- Appearance: Slightly yellow gel- Storage conditions: At room temperature; container flushed with nitrogen
Specific details on test material used for the study:
the substance is surface active

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
Pow
Partition coefficient:
>= 4 100
Temp.:
20 °C
pH:
ca. 8
Type:
Pow
Partition coefficient:
>= 4 200
Temp.:
20 °C
pH:
ca. 8
Remarks on result:
other: corrected for the water content in the substance
Key result
Type:
log Pow
Partition coefficient:
>= 3.6
Temp.:
20 °C
pH:
ca. 8

Applicant's summary and conclusion

Conclusions:
The Pow of the substance at 20°C was estimated to be ≥ 4.1E03 (log Pow ≥ 3.6).
Executive summary:

Because the substance is surface active both the HPLC method and the shake-flask method are not applicable. The log Pow of the substance was therefore estimated from the ratio 'n-octanol solubility and critical micelle concentration'. The Pow of the substance at 20°C was estimated to be 4.1E03 (log Pow 3.6) in a GLP study according to EC A.8, OECD 107 and OPPTS 830.7550.