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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
2010
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Principles of method if other than guideline:
A series of aqueous solutions of 1,4-diaminobutane and lactic acid were prepared in the range of concentrations 2mM-100mM. Samples were taken to calibrate the analytical method (DAB by gas chromatography, LA by high performance liquid chromatography).
Next, 10ml of octanol was contacted with 10ml of a given solution in a glass bottle (volume 100ml). Bottles were placed in the shaking bath and incubated for 66h at T=25¿C and shaking speed of 185rpm. Afterwards, bottles were left for 2h in order to allow for settling of phases. Samples of aqueous phase were taken and submitted to further analysis. pH was measured and concentrations of remaining 1,4-diaminobutane and lactic acid in aqueous phase were determined Based on the measured concentrations in aqueous phase, the concentration in organic phase was calculated by mass balance principle. Obtained data was transformed into diagram where the slope of created line expresses partitioning coefficient of the solute between water and octanol.
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:
Tetramethylenediamine
EC Number:
203-782-3
EC Name:
Tetramethylenediamine
Cas Number:
110-60-1
Molecular formula:
C4H12N2
IUPAC Name:
butane-1,4-diamine

Study design

Analytical method:
gas chromatography
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.84
Temp.:
25 °C
pH:
10.45 - 11.86
Details on results:
For 1,4 diaminobutane the octanol/water partitioning p o/w is 0.145 ±0.05 . This is equal to logP of -0.84.

Any other information on results incl. tables

see attached document octanol partitioning coefficient measuring method.doc

Applicant's summary and conclusion

Conclusions:
The log kow =-0.84
Executive summary:

The n-octanol/water partition coëfficient (Kow) for tetramethylene diamine is 0,145. The log (Kow) is -0,84.

The kow is a critical parameter for the chemical safety assesment (CSA), the classification and labeling and the PBT assesment. For organic substances the potential for bioaccumulation shall normally be determined by using the octanol/water partition coefficient, usually reported as a log Kow. Kow = 4 is intended to identify only those substances with a real potential to bioconcentrate. Based on the log (Kow) we can conclude that tetramethylenediamine should not be identified as a real potential to bioconcentrate.