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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Long-term toxicity to fish

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Reference
Endpoint:
long-term toxicity to fish, other
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
The aquatic toxicity was estimated by a QSAR, the Petrotox computer model. 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.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
The aquatic toxicity was estimated by a QSAR, the Petrotox computer model. 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.
Test organisms (species):
Danio rerio (previous name: Brachydanio rerio)
Duration:
28 d
Dose descriptor:
NOELR
Effect conc.:
> 1 000 mg/L
Basis for effect:
growth rate
Conclusions:
The 2-propanol estimated long-term NOELR value is >1000 mg/L based on chronic toxicity of Danio rerio. This value was calculated using the Petrotox computer model, which combines a partitioning model with the Target Lipid Model.
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 2-propanol estimated freshwater fish 28-day NOELR (No Observed Effect Loading Rate) value is >1000 mg/L based on growth of Danio rerio.

Description of key information

A QSAR using the Target Lipid Model (TLM) reported a long-term NOELR value of >1000 mg/L for Danio rerio.

Key value for chemical safety assessment

Additional information

The target lipid model (TLM) has been applied to long-term aquatic endpoints using the Petrotox computer model (version 3.06). As such, modelled data are considered fit for purpose.