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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: well performed OECD study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
N,N'-(3,3'-dimethylbiphenyl-4,4'-ylene)di(acetoacetamide)
EC Number:
202-111-1
EC Name:
N,N'-(3,3'-dimethylbiphenyl-4,4'-ylene)di(acetoacetamide)
Cas Number:
91-96-3
Molecular formula:
C22H24N2O4
IUPAC Name:
N-{2-methyl-4-[3-methyl-4-(3-oxobutanamido)phenyl]phenyl}-3-oxobutanamide
Details on test material:
purity > 99%

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
1.73
Temp.:
23 °C
pH:
ca. 7
Details on results:
Results in detail:

determ. no. stock solution water test substance test substance log Pow
conc . in n- conc. in water
octanol phase phase
[ml] [ml] [mg/l] [mg/I]
Al 5 10 79,2 1,5 1,73
A2 5 10 79,9 1,6 1,71
BI 10 10 80,9 1,5 1,72
B2 10 10 80,2 1,5 1,73
Cl 20 10 81,8 1,5 1,74
C2 20 10 81,7 1,5 1,74
mean --- --- --- --- 1,73

Recovery rate: 97 - 99%

Applicant's summary and conclusion

Conclusions:
The Log Pow is 1.73 at 23°C
Executive summary:

The partition coefficient m-octanol / water of the substance was determined according to OECD guideline 107 (shake-flak-method) and the Log Pow was found to be 1.73 at 23°C.