Registration Dossier
Registration Dossier
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EC number: 211-892-8 | CAS number: 706-14-9
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
Description of key information
log E(L)C50 = -0.47*number of carbon + 5.8163.
With 10 carbons, E(L)C50 = 13.1 mg/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 13.1 mg/L
Additional information
γ-decalactone is a linear saturated 4-hydroxycarboxylic acid derived-lactone with 10 carbons. γ-nonalactone and γ-undecalactone are structurally similar compounds of aliphatic lactones with 9 and 11 carbons, respectively.
A compilation of QSAR results (blue rhombus in the graph, see attached document) and experimental values (red triangle in the graph, see attached document) was made for these three lactones. QSAR results were obtained with ECOSAR v1.11 model (Ecological Structure Activity Relationships), which is a computerized predictive system that estimates the toxicity of chemical substances to aquatic organisms such as fish, aquatic invertebrates, and aquatic plants by using computerized Structure Activity Relationships (SARs). A correlation between the chemical acute toxicity on aquatic invertebrates (48h-E(L)C50) and the number of carbon was made, showing a decrease of toxicity value (increase of potential for toxicity) when carbon number increase. With experimental values, a slight overestimation of the toxicity was observed with QSAR model.
For γ-decalactone, lactone with 10 carbons, only QSAR result was available. To estimate with greater precision the acute toxicity on aquatic invertebrates, the equation log E(L)C50 = -0.47*number of carbon + 5.8163 (R² = 0.911) was used. With 10 carbons, the E(L)C50 was estimated at 13.1 mg/L. This value was chosen for the chemical safety assessment.
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