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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
short-term toxicity to fish
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
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
9.001 mg/L
Basis for effect:
mortality (fish)

Any other information on results incl. tables

Sublethal observations / clinical signs:

ECOSAR Program (v1.11) Results:

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

ECOSAR Version 1.11 Results Page

 

SMILES : Cc1nc2c(cccc2N)cc1

CHEM  :

CAS Num:

ChemID1:

MOL FOR: C10 H10 N2

MOL WT : 158.20

Log Kow: 2.573     (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:           (deg C, PhysProp DB exp value for Wat Sol estimate)

Wat Sol: 442.8     (mg/L, EPISuite WSKowwin v1.43 Estimate)

Wat Sol:           (User Entered)

Wat Sol:           (PhysProp DB exp value)

 

 

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

Values used to Generate ECOSAR Profile

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

Log Kow: 2.573     (EPISuite Kowwin v1.68 Estimate)

Wat Sol: 442.8     (mg/L, EPISuite WSKowwin v1.43 Estimate)

 

 

 

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

ECOSAR v1.11 Class-specific Estimations

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

Anilines (Unhindered)

Predicted

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

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

Anilines (Unhindered)     : Fish               96-hr    LC50       9.001

Anilines (Unhindered)     : Daphnid            48-hr    LC50       1.117

Anilines (Unhindered)     : Green Algae        96-hr    EC50       1.315

Anilines (Unhindered)     : Fish                         ChV        0.047

Anilines (Unhindered)     : Daphnid                      ChV        0.013

Anilines (Unhindered)     : Green Algae                  ChV        2.534

 

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

Neutral Organic SAR       : Fish               96-hr    LC50      39.746

(Baseline Toxicity)       : Daphnid            48-hr    LC50      23.794

: Green Algae        96-hr    EC50      22.058

: Fish                         ChV        4.135

: Daphnid                      ChV        2.688

: Green Algae                  ChV        6.499

 

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.

 

Anilines (Unhindered):

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

Maximum LogKow: 6.0 (Fish 96-hr LC50)

Maximum LogKow: >3 (Daphnid 48-h LC50)

Maximum LogKow: >4 (Green Algae 96-hr EC50 and ChV)

Maximum LogKow: >4.3 (Fish ChV)

Maximum LogKow: >2.4 (Daphnid 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