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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Applicant's summary and conclusion