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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

The BCF is estimated using EPIsuite V4.0 using a measured log Kow.
Although the calculated log Kow value of 7.69 (EPIsuite v4.0) for the unprotonated N-(hydrogenated tallow alkyl) trimethylendiamines (CAS no 68603-64-5) is clearly higher than the measured value of 1.5 (OECD 123), preference is given to base the calculated BCF on the measured log Kow value. The calculated BCF value of 4.6 indicates that alkyl-1,3-diaminopropanes have a low bioaccumulation potential. The low calculated BCF is considered to be realistic as the fraction of unprotonated amines will be very low in the environment.
The alkyl-1,3-diaminopropanes are readily biodegradable and it is therefore unlikely that they will accumulate in the food chain. The predicted BCF value could even be lower, as the calculation of the BCF is not taking into account metabolism of the compound, e. g. by fish and other aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):
4.6 dimensionless

Additional information

Aquatic bioaccumulation

The bioaccumulation potential of the diamines is assessed by measuring the log Kow for two technical products. Diamines are considered as difficult to test substances as they obtain certain structural or physico-chemical properties, which can make its measurement difficult. According to the guidance on regulatory compliant Kow determination for surfactants a calculatedKow value will be the first choice for surfactants. For the calculation approaches however it is essential to consider the pH of the system (which determines the ionisation of the surfactant). Because diaminesare for more than 99% protonated under environmental conditions the calculation approach is considered to have only a very limited predictive power for real life conditions. Despite of that calculations have been performed using EPI(v4.0). As none ofthe experimental methods is considered to very well suited for determining the Kow of surface active chemicals tests have been performed with the slow stirring method which is in theory is the best approach. During these tests with three technical products the main components of the product were quantified using LC/MS/MS analysis. The figures presented in table 12c are average values.

Besides to that also the observed CMC values are included in table 12c.   

Table 12c Calculated and measured log Kow values for three alkyl-1,3, diaminopropane technical products and the calculated log BCF based on the measured log Kow.

 

Substance

(CAS no.)

Main components in the test substance (>1%)

Calculated Log Kow (protonated)

CMC (mg/L)

Slow stirring

log Kow

Calculated Log BCF (EPI v4.0)

Amines, N-9-octa-decenyl-, (Z) -

propane-1,3-diamine

(7173-62-8)

C16:0 diamine

C18:1 diamine

C18:0 diamine

C18:2 diamine

C18:1N primary amine

C18:0N primary amine

4.77

5.54

5.75

5.32

4.31

4.53

36

0.0

0.66

 Amines, N-C16-18-alkyl (evennumbered) propane-1,3-diamine

(133779-11-0)

C14 diamine

C16 diamine

C18 diamine

C16 primary amine

C18 primary amine

3.79

4.77

5.75

3.54

4.53

36

1.5

0.5

 

The calculated BCF values could even be lower, as the calculation of the BCF is not taking into account metabolism of the compound, e. g. by fish and other aquatic organisms.

The BCF is estimated using EPIsuite V4.0 using a measured log Kow.