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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Endpoint:
bioaccumulation in aquatic species: fish
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance has a low potential for bioaccumulation based on log Kow <=3
Justification for type of information:
Calculations published and studies performed show that the partition coefficient of pentaerythritol tetranitrate is between 1.6 and 2.40.
Conclusions:
Low water solubility and an estimated log Kow <3 suggest a very low bioaccumulation potential.
Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Internationally accepted calculation method, EPI-Suite EPA (USA): BCFBAF v3.01
Qualifier:
no guideline available
Principles of method if other than guideline:
The BCFBAF Program is an update and expansion of the previous BCFWIN Program that was part of the EPI Suite version 3.20.  The update pertains to estimation of Bioconcentration Factor (BCF).
Specific details on test material used for the study:
SMILES: O(N(=O)=O)CC(CO(N(=O)=O))(CO(N(=O)=O))CO(N(=O)=O)
Test organisms (species):
not specified
Value:
17.3 L/kg
Remarks on result:
other: Estimation
Remarks:
BCFBAF v3.01 (EPI Suite)
Conclusions:
An estimated BCF of 17 was calculated for pentaerythritol tetranitrate, using an estimated log Kow of 2.4 and a regression-derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low.

Description of key information

PETN has a low potential for bioaccumulation (log Kow 1.6 - 2.40). An estimated BCF of 17 was calculated in fish for pentaerythritol tetranitrate, using an estimated log Kow of 2.4 and a regression-derived equation.

Key value for chemical safety assessment

BMF in fish (dimensionless):
17

Additional information