Registration Dossier
Registration Dossier
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EC number: 222-598-4 | CAS number: 3547-33-9
Bioaccumulation: aquatic / sediment
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:
- 2 011
- 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
- Reference substance name:
- Ethanol, 2-(octylthio)-
- IUPAC Name:
- Ethanol, 2-(octylthio)-
- 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
- Reference substance name:
- Hydroxyethyl octyl sulfide
- IUPAC Name:
- Hydroxyethyl octyl sulfide
Constituent 1
Constituent 2
Constituent 3
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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