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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: No GLP statement

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1988
Report date:
1988

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
yes
Remarks:
Deviation from OECD 107: The method used did not include different volume ratios of 1-octanol and water, but instead included different concentrations of the test substance. (1:2:40)
Principles of method if other than guideline:
Deviation from OECD 107:
The method used did not include different volume ratios of 1-octanol and water, but instead included different concentrations of the test substance. (1:2:40)
GLP compliance:
not specified
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Adiponitrile
EC Number:
203-896-3
EC Name:
Adiponitrile
Cas Number:
111-69-3
Molecular formula:
C6H8N2
IUPAC Name:
hexanedinitrile
Details on test material:
- Name of test material (as cited in study report): Adipinsäuredinitril (1,4-Dicyanbutan)
- Analytical purity: 99.3% (GC)
- Other: CAS number 111-69-3

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.32
Temp.:
25 °C
Remarks on result:
other: pH was not determined
Details on results:
Standard deviation from mean value: +/- 0.01

Any other information on results incl. tables

 

Ratio
1-oct.:water

without pH-adjustment

pH x

pH y

 

c in water (mg/l)

c in 1-oct. (mg/l)

log Pow

c in water (mg/l)

c in n?oct. (mg/l)

log Pow

c in water (mg/l)

c in n?oct. (mg/l)

log Pow

1:1

 1.039

 0.487

 -0.33

 

 

 

 

 

 

1:1

 2.034

 0.959

 -0.33

 

 

 

 

 

 

1:1

 7.419

 3.656

 -0.31

 

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:
The partition coefficient of adiponitrile (CAS 111-69-3) in 1-octanol/water at 25°C is logPow = -0.32