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Short-term toxicity to fish

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short-term toxicity to fish
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance is highly insoluble in water, hence indicating that aquatic toxicity is unlikely to occur
Justification for type of information:
Estimated Water Solubility (g.L-1): <0.001
For the preliminary estimation, the majority of the 1 mg sample did not dissolve after 10 minutes
vigorous shaking, 35 minutes in the ultra-sonic bath and being left to stand for 4 hours. It is expected that the solubility of the test material is below the limit of detection of the HPLC system.

ECOSAR Version 1.11 Results Page

SMILES : CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)c3ccco3
MOL FOR: C15 H15 N3 O7 S1
MOL WT : 381.36
Log Kow: 0.167 (EPISuite Kowwin v1.68 Estimate)
Log Kow: -1.010 (User Entered)
Wat Sol: 1424 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Wat Sol: 1 (mg/L, User Entered)

Values used to Generate ECOSAR Profile
Log Kow: -1.010 (User Entered)
Wat Sol: 1 (mg/L, User Entered)

ECOSAR v1.11 Class-specific Estimations
Aliphatic Amines-acid
Vinyl/Allyl Alcohols-acid
Amides -acid
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ======== ====== ==========
--> Acid moeity found: Predicted values multiplied by 10

Aliphatic Amines-acid : Fish 96-hr LC50 69567.742 *
Aliphatic Amines-acid : Fish ChV 11769.197 *

Vinyl/Allyl Alcohols-acid : Fish 96-hr LC50 208.273 *
Vinyl/Allyl Alcohols-acid : Fish ChV 44.215 *!

Amides -acid : Fish 96-hr LC50 1.62e+005 *
Amides -acid : Fish ChV 46.345 *
Amides -acid : Fish (SW) 96-hr LC50 1.39e+005 *

=========================== ================== ======== ====== ==========
Neutral Organic SAR : Fish 96-hr LC50 1.58e+005 *
(Baseline Toxicity) : Fish ChV 11141.556 *

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.

NOTE: ! = exclamation designates: The toxicity value was estimated through
application of acute-to-chronic ratios per methods outlined in
the ECOSAR Methodology Document provided in the ECOSAR Help Menu.

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: 8.0 (Fish, Daphnid ChV)

Vinyl/Allyl Alcohols:
Maximum LogKow: 5.0 (LC50)
Maximum LogKow: 6.4 (EC50)
Maximum LogKow: 8.0 (ChV)

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: 8.0 (ChV)

Based on the ECOSAR prediction, the effect level exceeds the water solubility by more than a factor of 10 so no effects at saturaiton are expected.

Description of key information

The study was waived based upon the poor water solubility of the test substance. The decison to waive is justified by the ECOSAR model. On this basis a qualitative environmental risk assessment has been conducted.

Key value for chemical safety assessment

LC50 for freshwater fish:
1 mg/L
LC50 for marine water fish:
1 mg/L

Additional information