Registration Dossier

Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Well documented estimation software (ECOSAR) with CAS number and structure resident in model database.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: ECOSAR 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:
96 h
Dose descriptor:
EC50
Effect conc.:
59 188 mg/L
Details on results:
Validity of Model:
1. Defined endpoint: Toxicity to algae (growth)
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 an algae 96 hour EC50 of 59188 mg/L. KGA will not be toxic to aquatic organisms.
Executive summary:

KGA was predicted using the ECOSAR estimation software to have an algae 96 hour EC50 of 59188 mg/L. Therefore KGA will not be toxic to aquatic organisms, and since KGA is the major constituent of KGA Greens, it is expected that KGA Greens also is not toxic to aquatic organisms.