Registration Dossier

Administrative data

Endpoint:
long-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Standard estimation software with CAS number and chemical resident in system.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: ECOSAR software v1.00
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
This endpoint was fulfilled with the use of the ECOSAR estimation software.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
The ECOSAR estimates were conducted on KGA.
SMILES : OC(=O)C(=O)C(O)C(O)C(O)CO
Log Kow: -3.05 (KowWin estimate) was used for the neutral organics model

Results and discussion

Effect concentrations
Duration:
30 d
Dose descriptor:
other: ChV
Effect conc.:
311 000 mg/L
Details on results:
Validity of Model:
1. Defined endpoint: Chronic toxicity to fish (growth and mortality)
2. Unambiguous algorithm: Linear regression QSAR, neutral organics
3. Applicability domain: Applicable to chemicals with log Kow values less than 5.0 for fish, 6.0 for Daphnia, 6.4 for green algae (all acute values) and 8.0 for all species (all chronic values); molecular weight maximum 1000
4. Statistical characteristics: N = 327 + 61; coefficient of determination (R2) = 0.8753
5. Mechanistic determination related to the partitioning of substance from water into lipids
Adequacy of prediction: The substance falls within the applicable domain and the predicted value can be considered reliable. See the table for predicted results for all species.

Any other information on results incl. tables

ECOSAR v1.00 Class(es) Found

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

Neutral Organics

Predicted

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

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

Neutral Organics          : Fish               96-hr    LC50   4.19e+006 *

Neutral Organics          : Fish               14-day   LC50   3.91e+006 *

Neutral Organics          : Daphnid            48-hr    LC50   1.12e+006 *

Neutral Organics          : Green Algae        96-hr    EC50   59188.125

Neutral Organics          : Fish               30-day   ChV    3.11e+005

Neutral Organics          : Daphnid                      ChV    58284.328

Neutral Organics          : Green Algae                  ChV     9738.590

Neutral Organics          : Fish (SW)         96-hr    LC50   8.56e+006 *

Neutral Organics          : Mysid Shrimp       96-hr    LC50   1.54e+008 *

Neutral Organics          : Fish (SW)                   ChV    33427.863

Neutral Organics          : Mysid Shrimp (SW)            ChV    5.95e+007 *

Neutral Organics          : Earthworm          14-day   LC50    1128.396

 

Note: * = asterisk designates: Chemical may not be soluble

enough to measure this predicted effect.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
KGA was predicted to have a fish 30-day ChV of 3.11E+5 mg/L. Neither KGA or KGAGreens will be toxic to aquatic organisms.
Executive summary:

KGA was predicted using the ECOSAR estimation software to have a fish 30 day ChV of 3.11E+5 mg/L. Therefore KGA will not be toxic to aquatic organisms, and since KGA is the major component of KGA Greens it is expected that KGA Greens also would not be toxic to aquatic organisms.