Registration Dossier
Registration Dossier
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EC number: 953-378-2 | CAS number: -
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
The registered substance is an uvcb, each constituent are predicted to be not bioaccumulable (BCF < 2000 L/kg).
Considering a worst case approach, the predicted value for alkylamines constituents remains the highest predicted BCF value. Therefore the BCF = 173 L/kg was used for regulatory purpose to define the bioaccumulation potential of the registered uvcb (EC 953-378-2).
Key value for chemical safety assessment
- BCF (aquatic species):
- 173 L/kg ww
Additional information
The registered substance is a salt (EC 953-378-2) constituted by both parts (primary alkylamines and alkylbenzene sulfonic acid) are generally present with a 1:1 ratio. Bioaccumulation potential was estimated on both constituents which constitute the registered salt.
Regarding the Primary Alkylamine part, the most suitable approach to derive a BCF is the ADME Model of Arnot and Gobas (2003) for the unprotonated C16 amine. C16 amine is a model compound for the Primary alkyl amines. Therefore it is proposed to use for the Primary alkyl amines a BCF of 173 L/kg as estimated by the ADME Model of Arnot & Gobas (2003) on basis of a Weight of Evidence.
Regarding the C10-13 alkylbenzenesulfonic acid part, the linear alkylbenzene sulfonate compound (C13) has been considered to predict the BCF and constitute a worst-case approach. QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF in fish of the C13 linear alkylbenzene sulfonate acid is 70.8 L/kg ww. The (Q)SAR is valid and was applied to a chemical falling within its applicability domain.
This predicted value on the C13 Alkylbenzenesulphonate was supported by experimental studies available on similar substance:
- Freitag D, 1982 (publication similar to OECD 305, BCF = 130 L/kg, 3 days, Na n-Dodecylbenzene sulfonate (N salt), Leuciscus idus melanotus)
- Versteeg, 2003 (publication similar to OECD 305, BCF = 36 to 119 L/kg, 32 days, C12-LAS mixed isomer (97% of C12) Pimephales promelas & Ictalurus punctatus)
Considering a worst case approach, the predicted value for alkylamines constituents remains the highest predicted BCF value. Therefore the BCF = 173 L/kg was used for regulatory purpose to define the bioaccumulation potential of the registered substance (EC 953-378-2).
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