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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
read-across based on grouping of substances (category approach)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted QSAR estimation method, according to ECHA Chapter R.7c guidance (2008). Substance is considered to be within the structural (aliphatic ether, aliphatic alcohol) and parametric (log Kow) domains of the model.
Justification for type of information:
Read across is based on the category approach. Please refer to attached category document.
Cross-referenceopen allclose all
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study

Data source

Reference
Reference Type:
publication
Title:
Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient
Author:
Meylan WM, Howard PH, Boethling RS
Year:
1999
Bibliographic source:
Environ. Toxicol. Chem. 18(4): 664-672

Materials and methods

Principles of method if other than guideline:
The estmation is made using the U.S. EPA EPI Suite v4.10, and the embedded BCFBAF model v3.01. The estimation method and training set data are described in the cited reference of Meylan et al. 1999.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Test substance molecular structure entered to model as SMILES notation.
SMILES code: O(CCOCCOCCO)CCO
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
not applicable

Sampling and analysis

Details on sampling:
not applicable

Test solutions

Vehicle:
no
Details on preparation of test solutions, spiked fish food or sediment:
not applicable

Test organisms

Details on test organisms:
Generic fish BCF value is estimated, based on training set using a number of different fish species

Study design

Test type:
other: QSAR estimation based on structure and log Kow

Test conditions

Hardness:
not applicable
Test temperature:
not applicable
pH:
not applicable
Dissolved oxygen:
not applicable
TOC:
not applicable
Salinity:
not applicable
Details on test conditions:
not applicable
Nominal and measured concentrations:
not applicable
Details on estimation of bioconcentration:
Based on input SMILES code, and estimated log Kow value of -2.02, the model identified the occurrence of two aliphatic alcohol, two aliphatic ether, and eight methylene carbon (CH2) groups. A correction for molecular weight and an equation constant are also used in deriving BCF from the correlation with log Kow .

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
3.2 L/kg
Basis:
whole body w.w.
Details on kinetic parameters:
not applicable
Metabolites:
not applicable
Results with reference substance (positive control):
not applicable
Details on results:
not applicable
Reported statistics:
not applicable

Any other information on results incl. tables

not applicable

Applicant's summary and conclusion

Conclusions:
The estimated BCF value is 3.2 L/kg w.w., based on correlation of log Kow and BCF values, with corrections for specific structural features and molecular weight. The substance is concluded to have very low potential for bioaccumulation in the aquatic environment.
Executive summary:

not applicable