1-(N,N-bis(2-hydroxyethyl)amino)propan-2-ol

Short-term toxicity to fish

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

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

14 544.682 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 : CC(CN(CCO)CCO)O

CHEM  : 1-[bis(2-hydroxyethyl)amino]propan-2-ol

CAS Num:

ChemID1:

MOL FOR: C7 H17 N1 O3

MOL WT : 163.22

Log Kow: -2.059    (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: 1E+006    (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: -2.059    (EPISuite Kowwin v1.68 Estimate)

Wat Sol: 1E+006    (mg/L, EPISuite WSKowwin v1.43 Estimate)

 

 

 

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

ECOSAR v1.11 Class-specific Estimations

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

Aliphatic Amines

Predicted

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

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

Aliphatic Amines          : Fish               96-hr    LC50   14544.682

Aliphatic Amines          : Daphnid            48-hr    LC50    1081.558

Aliphatic Amines          : Green Algae        96-hr    EC50    2269.834

Aliphatic Amines          : Fish                         ChV     3567.856

Aliphatic Amines          : Daphnid                      ChV       56.154

Aliphatic Amines          : Green Algae                  ChV      536.247

 

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

Neutral Organic SAR       : Fish               96-hr    LC50   5.92e+005

(Baseline Toxicity)       : Daphnid            48-hr    LC50   2.31e+005

: Green Algae        96-hr    EC50   36556.398

: Fish                         ChV    37191.305

: Daphnid                      ChV     7942.077

: Green Algae                  ChV     4155.654

 

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.

 

Aliphatic Amines:

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

Maximum LogKow: 6.0 (Fish, Mysid LC50)

Maximum LogKow: 5.0 (Daphnid LC50)

Maximum LogKow: 7.0 (Green Algae EC50)

Maximum LogKow: 8.0 (Fish, Daphnid ChV)

Maximum LogKow: 7.0 (Green Algae 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)