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Ecotoxicological information

Short-term toxicity to aquatic invertebrates

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Reference
Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
Not applicable, calculated value
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13. Petrotox is a well documented and peer reviewed model that is widely used across the petrochemicals industry. This substance fits within the criteria of the model and there are no reservations abou the validity of the model runs. It is expected that this data is reliable with restrictions.
Qualifier:
no guideline followed
Principles of method if other than guideline:
The aquatic toxicity was estimated by a QSAR, the Petrotox computer model (v 3.06). This model combines a partitioning model used to calculate the aqueous concentration of hydrocarbon components with the Target Lipid Model used to calculate acute and chronic toxicity of non-polar narcotic chemicals. Petrotox computes toxicity based on the summation of the aqueous-phase concentrations of hydrocarbon block(s) that represent a hydrocarbon substance and membrane-water partition coefficients (KMW) that describe the partitioning of the hydrocarbons between the water and organism
GLP compliance:
no
Remarks:
The data were calculated by a computer model
Specific details on test material used for the study:
All details on input parameters are included in Section 13 of this dossier.
Analytical monitoring:
not required
Details on sampling:
No data
Vehicle:
no
Details on test solutions:
No data
Test organisms (species):
Daphnia magna
Details on test organisms:
No data
Test type:
other: QSAR modeled data
Water media type:
freshwater
Limit test:
no
Total exposure duration:
48 h
Post exposure observation period:
No data
Hardness:
No data
Test temperature:
No data
pH:
No data
Dissolved oxygen:
No data
Salinity:
No data
Nominal and measured concentrations:
No data
Details on test conditions:
No adta
Reference substance (positive control):
not required
Duration:
48 h
Dose descriptor:
EL50
Effect conc.:
3.68 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mobility
Remarks on result:
other: QSAR
Remarks:
Based on QSAR prediction
Details on results:
No data
Results with reference substance (positive control):
No data
Reported statistics and error estimates:
No data
Validity criteria fulfilled:
yes
Conclusions:
The estimated freshwater invertebrate acute EL50 value is 3.68 mg/L based on mobility
Executive summary:

The aquatic toxicity was estimated using the Petrotox computer model, which combines a partitioning model used to calculate the aqueous concentration of hydrocarbon components as a function of substance loading with the Target Lipid Model used to calculate acute and chronic toxicity of non-polar narcotic chemicals. Petrotox computes toxicity based on the summation of the aqueous-phase concentrations of hydrocarbon block(s) that represent a hydrocarbon substance and membrane-water partitioning coefficients (KMW) that describe the partitioning of the hydrocarbons between the water and organism.

The estimated freshwater invertebrate acute EL50 value is 3.68 mg/L based on mobility.

Description of key information

A QSAR prediction using Petrotox v3.06 predicted an acute LL50 for invertebrates of 3.68 mg/l, which is considered the key value for acute invertebrate toxicity.

 

This is supported by and experimental study on the read-across substance n-hexane which reported a 48-hr LC50 for daphnia of 45 mmol/m3 (WAF)

Key value for chemical safety assessment

Additional information