Tetramethylenediamine

Partition coefficient

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

Test material information

Constituent 1

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 (K_ow) for tetramethylene diamine is 0,145. The log (K_ow) 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.