Pentyl formate

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using ECOSAR v.1.11 model

GLP compliance:

no

Specific details on test material used for the study:

- Name of test material (as cited in study report): Pentyl formate
- Molecular formula: C6H12O2
- Molecular weight: 116.158 g/mole
- Substance type: organic
- Physical state: Liquid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Test type:

not specified

Water media type:

freshwater

Total exposure duration:

96 h

Test temperature:

25 Deg.C

Reference substance (positive control):

not specified

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

147.259 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: ECOSAR Class:Neutral Organics

Validity criteria fulfilled:

not specified

Conclusions:

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 147.259 mg/l on Fish for substance Pentyl formate (CAS no.638-49-3) on the basis of mortality effects.

Executive summary:

Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for test substance Pentyl formate (CAS no.638-49-3) on the basis of effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 147.259 mg/l for fish for 96 hr exposure duration. Based on this lethal value it can be concluded that the substance Pentyl formate (CAS no.638-49-3)can be considered to be non toxic to aquatic environment and thus it become not classified as per the CLP classification criteria.

Description of key information

Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for test substance Pentyl formate (CAS no.638-49-3) on the basis of effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 147.259 mg/l for fish for 96 hr exposure duration. Based on this lethal value it can be concluded that the substance Pentyl formate (CAS no.638-49-3)can be considered to be non toxic to aquatic environment and thus not classified as per the CLP classification criteria.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

147.259 mg/L

Additional information

Three studies including predicted data from validated tools and experimental result from peer reviewed journal for short term fish endpoint of test chemical Pentyl formate (Cas no. 638-49-3) with relevant read across which is structurally similar to target were summarised as follows:

First study from EPI Suite ECOSAR version 1.11 which indicate the short term toxicity on fish was predicted for test substance Pentyl formate (Cas no. 638-49-3) on the basis of effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 147.259 mg/l for fish for 96 hr exposure duration.

Another prediction from Danish QSAR database for target indicate the 96 hrs LC50 value of test substance Pentyl formate on Fathead minnow was estimated by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. Based on mortality, the 96 hrs LC50 value was predicted to be 70.13 mg/l. Based on this lethal value, it can be concluded that the test chemical Pentyl formate (Cas no.638 -49 -3) was considered to be toxic to fish but as it was readily biodegradable hence, Pentyl formate was considered to be not classified as per the CLP regulation. 

Above both prediction results of target assist by read across chemical Butyl Acetate (Cas no. 123-86-4) which suggest in short term fish toxicity bioassay the lethal concentration (LC50) of test substance Butyl acetate for saltwater fish species Menidia beryllina was examine. In experiment 0,100,132,180,240 and 320 mg/l concentrations was used with experimental condition 55 mg/L CaCO3 hardness, 7.6 to 7.9 pH and 20 deg.C test temp.in static saltwater. During experiment the lethal concentration was observed to be 185 mg/l with exposure period 96 hrs. and on the basis of mortality effects.

Thus based on the both predicted lethal concentrations of target which is in the range 70.13 mg/l to 147.259 mg/l of target give the conclusion that the test chemical Pentyl formate (Cas no. 638-49-3) can be considered as toxic to aquatic environment as per Danish QSAR database , Since the chemical is readily biodegradable in nature, chemical Pentyl formate can be considered as non-toxic to fish at environmentally relevant concentrations this aquatic classification of target supported by read across chemical with lethal value (LC50) 185 mg/l and thus overall chemical Pentyl formate (Cas no. 638-49-3) considered to be not-classified as per the CLP classification criteria.