Registration Dossier
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EC number: 260-330-8 | CAS number: 56677-60-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Parent compound tetradecyl chloroformate: Accumulation in organisms is unlikely
Hydrolysis product tetradecanol: Accumulation in organisms is unlikely
Moreover, direct and indirect exposure of aquatic compartment is unlikely (use as an intermediate in closed system, rigorously controlled).
Key value for chemical safety assessment
Additional information
Parent compound tetradecyl chloroformate:
The BCF value was calculated using EPISuite v4.10 SRC BCFBAF v3.01. The obtained BCF value was 393 L/kg ww (log BCF = 2.59).
The obtained BCF value indicates that accumulation in organisms is unlikely.
However, the calculation may be of low relevance, as dissolved tetradecyl chloroformate rapidly hydrolyse to tetradecanol, CO2 and HCL.
Hydrolysis product tetradecanol:
The BCF value was calculated using EPISuite v4.10 SRC BCFBAF v3.01. The obtained BCF value was 187 L/kg ww (log BCF = 2.27).
The obtained BCF value indicates that accumulation in organisms is unlikely.
In addition two OASIS CATALOGIC models were used in order to discuss the bioaccumulation potential within the PBT assessment for tetradecanol.
- A BCF calculation using the CATALOGIC v.5.11.1 BCF base-line model v01.04 is available for tetradecanol (CAS 112 -72 -1). The BCF model calculates the BCF implicating the estimated log Kow value of 6.03. Furthermore, the influence of mitigating factors like water solubility, size and metabolism are also considered by the model. Taking into account these mitigating factors the BCF is reduced from 22866.52 (log BCF = 4.3592) to 754.9 (log BCF = 2.8778), mainly due to metabolism.
Besides metabolism also the low water solubility and the molecular size reduce the log BCF as estimated by the model. All in all, based on the predicted BCF of 754.9, significant bioaccumulation is not to be expected in animal tissues. The test substance is to 100% within the applicability domain of the model (BASF, 2011).
- A BCF calculation using CATALOGIC v.5.11.1 BCF base-line model - new ionization term is available for tetradecanol. Taking into account the mitigating factors metabolism, size and water solubility, the BCF is reduced from 22866.52 (log BCG 4.3592) to 736.5 (log BCF 2.8672).
The test substance is to 100% within the applicability domain of the model (BASF, 2011).
Based on the weight-of-evidence approach, it can be concluded that tetradecanol (CAS 112 -72 -1) is not expected to significantly bioaccumulate in aquatic organisms. When taking into account all of the mitigating factors, the predicted BCF value is clearly below 2000, indicating that the substance does not fulfil the "B"-criterion. Tetradecanol is neither assessed to be bioaccumulative nor very bioaccumulative. Considering mitigating factors like metabolism, size and water solubility, a BCF value of < 1000 can be expected. The expected biodegradation and the resulting metabolites support the conclusion that the "B"-criterion is not fulfilled by tetradecanol.
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