Registration Dossier

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.:
3 776.089 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 : c1ccc(cc1)S(=O)(=O)NN

CHEM  : Benzenesulphonohydrazide

CAS Num:

ChemID1:

MOL FOR: C6 H8 N2 O2 S1

MOL WT : 172.20

Log Kow: 0.007     (EPISuite Kowwin v1.68 Estimate)

Log Kow:           (User Entered)

Log Kow: -0.14     (PhysProp DB exp value - for comparison only)

Melt Pt: 102.00    (deg C, User Entered for Wat Sol estimate)

Melt Pt: 102.00    (deg C, PhysProp DB exp value for Wat Sol est)

Wat Sol: 6.521E+004 (mg/L, EPISuite WSKowwin v1.43 Estimate)

Wat Sol: 1.5E+004  (mg/L, User Entered)

Wat Sol:           (PhysProp DB exp value)

 

 

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

Values used to Generate ECOSAR Profile

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

Log Kow: 0.007     (EPISuite Kowwin v1.68 Estimate)

Wat Sol: 1.5E+004  (mg/L, User Entered)

 

 

 

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ECOSAR v1.11 Class-specific Estimations

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

Amides

Predicted

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

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

Amides                    : Fish               96-hr    LC50    1369.188

Amides                    : Daphnid            48-hr    LC50    3776.089

Amides                    : Green Algae        96-hr    EC50      28.011

Amides                    : Fish                         ChV        0.718

Amides                    : Daphnid                      ChV       56.830

Amides                    : Green Algae                  ChV       11.351

Amides                    : Fish (SW)          96-hr    LC50    1185.207

Amides                    : Mysid (SW)         96-hr    LC50      39.973

 

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

Neutral Organic SAR       : Fish               96-hr    LC50    8718.941

(Baseline Toxicity)       : Daphnid            48-hr    LC50    4118.588

: Green Algae        96-hr    EC50    1433.592

: Fish                         ChV      685.961

: Daphnid                      ChV      240.680

: Green Algae                  ChV      249.207

 

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.

 

 

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

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.

 

Amides :

-------

Maximum LogKow: >8.5 (LC50)

Maximum LogKow: >8.0 (EC50,ChV)

 

Baseline Toxicity SAR Limitations:

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

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

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Applicant's summary and conclusion