Registration Dossier

Administrative data

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimated by calculation using EPI Suite (v. 4.10) Quantitative Structure Activity Relationship (QSAR) computer model. EPI Suite has undergone detailed review by a panel of EPA’s independent Science Advisory Board (SAB) (http://www.epa.gov/sab/).
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Model
Title:
EPI Suite TM
Author:
United States Environmental Protection Agency, Office of Pollution Prevention and Toxics and Syracuse Research Corporation
Year:
2011
Bibliographic source:
http://www.epa.gov/oppt/exposure/pubs/episuite.htm
Report date:
2011

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR
Principles of method if other than guideline:
BCF (BCFWIN v3.01 (EPIWIN v4.10). All parameters used in the calculation were the default values found in EPIWIN.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
Ethanol, 2-(octylthio)-
IUPAC Name:
Ethanol, 2-(octylthio)-
Constituent 2
Chemical structure
Reference substance name:
2-(octylthio)ethanol
EC Number:
222-598-4
EC Name:
2-(octylthio)ethanol
Cas Number:
3547-33-9
Molecular formula:
C10H22OS
IUPAC Name:
2-(octylsulfanyl)ethan-1-ol
Constituent 3
Reference substance name:
Hydroxyethyl octyl sulfide
IUPAC Name:
Hydroxyethyl octyl sulfide

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
117 L/kg
Basis:
other: wet - wt
Remarks on result:
other: Estimated by BCFWIN v3.01

Applicant's summary and conclusion

Conclusions:
BCF (BCFWIN v3.01 (EPIWIN v4.10) was 117 L/kg wet - wt.