Registration Dossier
Registration Dossier
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EC number: 268-452-3 | CAS number: 68092-28-4
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Based on validated QSAR, the TS (target substance) is not expected to be bioaccumulative in fish.
The estimated BCF is 2.3 - 200 L/kg.
Key value for chemical safety assessment
- BCF (aquatic species):
- 200 L/kg ww
Additional information
Tall oil, compound with diethanolamine is a UVCB substance, due to the variability in composition in tall oil, a natural product. LCMS analysis identified twelve constituents (section 1.2) of the substance, including unreacted diethanolamine. All twelve idenitified constituents, adding up to 91.2 % (w/w) were modeled using the CATALOGIC BCF baseline QSAR model. The prediction is that all twelve constituents are non-bioaccumulative. BCF values range from 2.3 to 200 L/kg. The prediction is within the aplicability domain of the QSAR model with low uncertainty, and can be accepted with confidence. The summary prediction report for all twelve constituents in QPRF format is attached herewith. The model QMRF is provided as attachment to the endpoint record, which provides detailed prediction for one of the main constituents, Oleic acid, compound with diethanolamine, as example. The UVCB constituents identified by LCMS analysis are provided in section 1.2. The prediction report provides their predicted BCF values in the order they are listed in section 1.2.
8.8 % (w/w) of the constituents which could not be identified by LCMS, are also expected to be not bioaccumulative by read-across.
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