Octadecanedioic acid, 1,18-dimethyl ester

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2016

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: US EPA Method

Justification for type of information:

SOFTWARE:
US EPA. Estimation Programs Interface Suite (EpiSuite) v4.11

MODEL (incl. version number):
ECOSAR v1.11:
ECOSAR (ECOlogical Structure Activity Relationship) Class Program, U.S EPA

SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL:
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC

ADEQUACY OF THE RESULT:
Results considered sufficient to support that acute aquatic toxicity is not expected at the limits of the substances water solubility.

Qualifier:

no guideline followed

Principles of method if other than guideline:

The Quantitative Structure Activity Relationships (QSARs) presented in the ECOSAR v1.11 program are used to predict the aquatic toxicity of chemicals based on their similarity of structure to chemicals for which the aquatic toxicity has been previously measured. ECOSAR is currently programmed to identify over 120 chemical classes, including esters. Information about ECOSAR and the underlying (Quantitative) Structure Activity Relationships is described in EPA’s Methodology Document for ECOSAR v1.11 (2012)

GLP compliance:

no

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

0.045 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: This estimated toxicity value exceeds the measured aqueous solubility of the test material (<0.000616 mg/L). Therefore, short-term aquatic toxicity to Daphnia magna is not expected at the limits of the test materials water solubility.

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ECOSAR v1.11 Class-specific Estimations

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

Esters

Predicted

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

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

Esters                                   Daphnid                    48-hr     LC50     0.045 *

 

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

Neutral Organic SAR

(Baseline Toxicity)              Daphnid                    48-hr       LC50     0.005 *

 

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.

Conclusions:

The short-term freshwater aquatic toxicity of octadecanedioic acid, 1,18-dimethyl ester (ODDAME) was estimated for the invertebrate crustacean Daphnia magna using EPISuite v4.11, ECOSAR v1.11. A 48-hr LC50 value of 0.045 mg/L was estimated. This estimated acute toxicity value exceeds the measured aqueous solubility of ODDAME (<0.000616 mg/L). Therefore, short-term aquatic toxicity to Daphnia magna is not expected at the limits of ODDAME’s water solubility.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

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

other:

Description of key information

Study is waived based on specific rules for adaption - substance is highly insoluble in water, indicating that aquatic toxicity is unlikely to occur.

Short-term aquatic toxicity to Daphnia magna is not expected at the limits of water solubility based on QSAR modelling (ECOSAR v1.11).