Registration Dossier

Administrative data

Endpoint:
short-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: 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 software v1.00
Title:
Unnamed
Year:
2010

Materials and methods

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

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Isomaltulose is a disaccharide that is the primary constituent of isomaltulose greens along with its structural isomer trehalulose and other sugars.
SMILES : O(C(C(O)C(O)C1O)CO)C1OCC(OC(O)(C2O)CO)C2O
Log Kow: -3.58 (KowWin estimate) was used for the neutral organics model

Results and discussion

Effect concentrations
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
21 200 000 mg/L
Details on results:
Validity of Model:
1. Defined endpoint: Acute toxicity to fish (lethality)
2. Unambiguous algorithm: Linear regression QSAR, neutral organics
3. Applicability domain: Applicable to chemicals with log Kow values less than 5.0 for fish and Daphnia, 6.4 for green algae; 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. Note that the predictions for trehalulose are identical as it is a structural isomer of isomaltulose.

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    2.12e+007 *

Neutral Organics          : Fish                14-day    LC50    1.96e+007 *

Neutral Organics          : Daphnid             48-hr     LC50    5.25e+006 *

Neutral Organics          : Green Algae         96-hr     EC50    2.21e+005

Neutral Organics          : Fish                30-day    ChV     1.52e+006 *

Neutral Organics          : Daphnid                       ChV     2.52e+005

Neutral Organics          : Green Algae                   ChV     33385.879

Neutral Organics          : Fish (SW)          96-hr     LC50    4.51e+007 *

Neutral Organics          : Mysid Shrimp        96-hr     LC50    1.13e+009 *

Neutral Organics          : Fish (SW)                   ChV     1.25e+005

Neutral Organics          : Mysid Shrimp (SW)             ChV     5.09e+008 *

Neutral Organics          : Earthworm           14-day    LC50     2252.878

 

Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Isomaltulose was predicted to have a fish 96-hour LC50 of 2.12E+7 mg/L and even at that point the substance may not be soluble enough to exhibit toxicity. The structural isomer trehalulose predicts identical results. These are the two main constituents of isomaltulose greens (the rest being primarily other sugars) and therefore isomaltulose greens will not be toxic to aquatic organisms.
Executive summary:

Isomaltulose was predicted using the ECOSAR estimation software to have a fish 96-hour LC50 of 2.12E+7 mg/L. The structural isomer trehalulose predicts identical results. These are the two main constituents of isomaltulose greens (the rest being primarily other sugars) and therefore isomaltulose greens will not be toxic to aquatic organisms.