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Diss Factsheets

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Additional information

Bioaccumulation potential


No measured Bio-Concentration Factor for fish is available for N-(3-aminopropyl)-N'-C16-18 (evennumbered), C18 unsaturated alkyl -propane-1,3-diamine. Standard OECD 305 tests are technically very complicated with substances which are strongly sorbing and rapidly biodegradable. The bioavailable fraction of these substances is quickly degraded and a chronic exposure to a significant concentration is therefore unlikely. The substances are thus either sorbed or biodegraded and are therefore not expected to pose a risk via accumulation in the food chain through bioaccumulation in aquatic or terrestrial organisms.  


Based on the available fate information and the structural similarity of the substances, a low bioaccumulation potential is expected for Triamine T under environmental conditions.  In the absence of measured BCF values the bioaccumulation potential of a substance can be estimated using QSARS like BCFBAF (US EPA 2017). For non-polar narcotics there is a common understanding that the bioaccumulation potential can be estimated using the observed log Kow of the substance (Gobas & Arnot, 2003; Bysshe, 1982). A weighted mean measured log Kow of -0.3 (Slow stirring at pH 6) is available for a structurally strongly related substance (Amines, N-(3- aminopropyl)-N’-[3-(C18 and C18-unsatd. alkyl amino)propyl] trimethylenedi and amines, N-(3-aminopropyl)-N’-(C18 and C18-unsatd. alkyl)trimethylenedi- (Tetramine O, EC 701-369-7) which results in a BCF of 3.2 L/kg (BCFBAF v 3.01, assuming no metabolism). This low calculated BCF is considered to be also realistic for Triamine T as the fraction of bioavailable unprotonated amine will be very low in the environment. The fraction unprotonated amines at pH 7 is with a pKa of 10.8 (for the primary alkyl group in the structure) less than 0.1% (Beelen, 1998). It should be noted however that these low log Kow values were measured at pH 6. When calculating the log Kow or BCF of the non-protonated amines much higher values are predicted by the BCFBAF model (version 3.01) in EPI suite™ (version 4.11).


In vitro biotransformation by rainbow trout hepatic subcellulair fraction has been observed for primary alkyl amines (Perdu-Durand 2006; Bernhard et al., 2006)) and alkyl propane-1,3 -diamines (Nouryon, internal report). It is therefore likely that also alkyl dipropylene triamines and alkyl tripropylene tetramines are rapidly biotransformed in fish.


 


BCFBAF Program (v3.01) Results:


==============================


SMILES : CCCCCCCCCCCCCCCCCCNCCCNCCCN


CHEM   : C18:0 dipropylenetriamine (non-protonated!)


MOL FOR: C24 H53 N3


MOL WT : 383.71


--------------------------------- BCFBAF v3.01 ------------------------------


Summary Results:


  Log BCF (regression-based estimate):  3.20  (BCF = 1.59e+003 L/kg wet-wt)


  Biotransformation Half-Life (days) :  77.7  (normalized to 10 g fish)


 
























































































































































 


BCF calculation of  using BCFBAF v3.01



 



 



 



Triamine T



EC 628-863-4; CAS no: 1219458-14-6



 



 



(N-(3-aminopropyl)-N'-C16 - 18 (evennumbered), C18 unsaturated alkyl -propane 1,3-diamine 



 



 



BCFBAF



Fraction of BCF



 



 



Content



v3.01



to weighted mean



 



Amine composition



(%)



Non-protonated fraction



BCF



 



C18:1 amine 



1



1930



19.3



 



C16:0 propylenediamine 



5.7



521



29.7



 



C18:1 propylenediamine 



8.4



1980



166.3



 



C18:0 propylenediamine 



6.7



1550



103.9



 



C14:0 dipropylenetriamine 



1.4



113



1.6



 



C16:1 dipropylenetriamine



1.3



363



4.7



 



C16:0 dipropylenetriamine Y



1.3



342



4.4



 



C16:0 dipropylenetriamine 



21.3



503



107.1



 



C18:1 dipropylenetriamine 



20.2



2030



410.1



 



C18:0 dipropylenetriamine Y



1.9



2120



40.3



 



C18:0 dipropylenetriamine



24.3



1590



386.4



 



C16:0 tripropylenetetraamine 



1.9



486



9.2



 



C18:1 tripropylenetetraamine 



1.8



2080



37.4



 



C18:0 tripropylenetetraamine 



2.3



1630



37.5



 



 



Sum of fractions



Weighted mean BCF



 



99.5



 



1357.9



L/kg



 


Van Beelen, P. (1998). Environmental risk evaluation of difficult substances in USES 2.0. RIVM rapport 679102045.


PERDU-DURAND, E, Nicole GASC, JeanPierre CRAVEDI (2006) Hexadecylamine biotransformation rates in carp and rainbow trout liver subcellular fractions. ERASM Final Report, Toulouse, France, July 2006. 1-14.


Bernhard, M. J., Dyer, S. D., Cowan-Ellsberry, C., & Center, M. V. I. (2006). Determination of In Vitro Biotransformation of C16 Primary Amine in Fish Hepatocyte Suspension. Environmental Risk Assessment and Management (ERASM), final report.