[No public or meaningful name is available]

Short-term toxicity to fish

Link to relevant study record(s)

Reference

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:

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:

See Attached Justification

Qualifier:

according to guideline

Guideline:

other: REACH Guidance on QSARs R.6

Principles of method if other than guideline:

- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

GLP compliance:

not specified

Specific details on test material used for the study:

Cumulative concentrations (%) per chemical class and carbon number

Class Carbon No. Concentration (%)
MoAr C6 15.00
MoAr C7 5.23
MoAr C8 0.11
n-Olefins C5 16.55
n-Olefins C6 3.69
n-Olefins C7 0.80
n-Olefins C9 0.48
n-Olefins C10 45.93
n-Olefins C11 16.99

Total 104.77

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relavant block that presented the highest toxicity.

Test organisms (species):

Oncorhynchus mykiss (previous name: Salmo gairdneri)

Test type:

other: QSAR

Water media type:

other: QSAR

Limit test:

no

Total exposure duration:

96 h

Reference substance (positive control):

not required

Key result

Duration:

96 h

Dose descriptor:

LL50

Effect conc.:

1.05 mg/L

Nominal / measured:

estimated

Conc. based on:

other: QSAR

Basis for effect:

mortality (fish)

Remarks on result:

other: Results based on QSAR predicted value

Validity criteria fulfilled:

yes

Conclusions:

The QSAR predicted LL50 for Distillates (Petroleum), steam-cracked, dimerised (C5-12, C10-rich) was 1.05 mg/L.

Executive summary:

The QSAR predicted LL50 for Distillates (Petroleum), steam-cracked, dimerised (C5-12, C10-rich) for Onchorynchus mykiss was 1.05 mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documentedand peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions

Description of key information

The aquatic toxicity was predicted by a QSAR, the PETROTOX v4.0 computer model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. The substances of this category fit within the criteria of the model and there are no reservations about the validity of the model runs. The predicted LL50 value for Oncorhynchus mykiss was 1.05 mg/L.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Dose descriptor:

LC50

Effect concentration:

1.05 mg/L

Additional information

Due to the lack of experiemental data, the aquatic toxicity was predicted by a QSAR, the PETROTOX v4.0 computer model

The PETROTOX v4.0 model combines a partitioning model used to calculate the aqueous concentration of hydrocarbon constituents 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.

 

The predicted value was as follows:

Species	Substance CAS No.	LL50 (mg/L)
Oncorhynchus mykiss	68477-53-2	1.05