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Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference
Reference Type:
other: QSAR-tool
Title:
Estimation Program Interface EPI Suite (TM) v4.11: ECOSAR v1.11
Author:
United States Environmental Protection Agency, Washington, DC, USA.
Bibliographic source:
http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Materials and methods

Principles of method if other than guideline:
ECOSAR™ Version 1.11 (Sept 2012): The Ecological Structure Activity Relationships (ECOSAR) Class Program estimates the aquatic toxicity of industrial chemicals. The program estimates acute (short-term) toxicity and chronic (long-term or delayed) toxicity to aquatic organisms to fish, aquatic invertebrates and green algae.
GLP compliance:
no

Results and discussion

Effect concentrations
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
0.081 mg/L
Basis for effect:
mortality

Any other information on results incl. tables

ECOSAR Program (v1.11) Results:

===============================

ECOSAR Version 1.11 Results Page

SMILES : CCCCCCCCCCCL

CHEM  :

CAS Num:

ChemID1:

MOL FOR: C10 H21 CL1

MOL WT : 176.73

Log Kow: 5.506     (EPISuite Kowwin v1.68 Estimate)

Log Kow:           (User Entered)

Log Kow:           (PhysProp DB exp value - for comparison only)

Melt Pt:           (User Entered for Wat Sol estimate)

Melt Pt: -31.30    (deg C, PhysProp DB exp value for Wat Sol est)

Wat Sol: 1.257     (mg/L, EPISuite WSKowwin v1.43 Estimate)

Wat Sol:           (User Entered)

Wat Sol:           (PhysProp DB exp value)

 

 

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Values used to Generate ECOSAR Profile

--------------------------------------

Log Kow: 5.506     (EPISuite Kowwin v1.68 Estimate)

Wat Sol: 1.257     (mg/L, EPISuite WSKowwin v1.43 Estimate)

  

 

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ECOSAR v1.11 Class-specific Estimations

--------------------------------------

Neutral Organics

Predicted

ECOSAR Class                Organism           Duration End Pt  mg/L (ppm)

=========================== ================== ======== ======  ==========

Neutral Organics          : Fish               96-hr    LC50       0.103

Neutral Organics          : Daphnid            48-hr    LC50       0.081

Neutral Organics          : Green Algae        96-hr    EC50       0.230

Neutral Organics          : Fish                         ChV        0.015

Neutral Organics          : Daphnid                      ChV        0.019

Neutral Organics          : Green Algae                  ChV        0.124

Neutral Organics          : Fish (SW)          96-hr    LC50       0.132

Neutral Organics          : Mysid              96-hr    LC50       0.009

Neutral Organics          : Fish (SW)                    ChV        0.122

Neutral Organics          : Mysid (SW)                   ChV      0.00028

Neutral Organics          : Earthworm          14-day   LC50     133.015 *

 

Note: * = asterisk designates: Chemical may not be soluble enough to

measure this predicted effect. If the effect level exceeds the

water solubility by 10X, typically no effects at saturation (NES)

are reported.

  

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Class Specific LogKow Cut-Offs

------------------------------

If the log Kow of the chemical is greater than the endpoint specific cut-offs

presented below, then no effects at saturation are expected for those endpoints.

 

Neutral Organics:

----------------

Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)

Maximum LogKow: 6.0 (Earthworm LC50)

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Applicant's summary and conclusion