2,3,5-trimethylphenol

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): 2, 3, 5-Trimethylphenol
- Molecular formula :C9H12O
-Molecular weight :136.193 g/mol
- Smiles notation :c1(c(cc(C)cc1O)C)C
- InChl :1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
- Substance type: Organic
- Physical state: Solid

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.:

10.274 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 10.274 mg/l on Fish for substance 2,3,5-trimethylphenol (CAS no.697-82-5) on the basis of mortality effects.

Executive summary:

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 10.274 mg/l on Fish for substance 2,3,5-trimethylphenol (CAS no.697-82-5) on the basis of mortality effects using neutral organics class for prediction. Based on this value it can be concluded that the substance 2,3,5-trimethylphenol is considered to be toxic to Fish. Since the test chemical is readily biodegradable in nature, chemical 2,3,5-trimethylphenol can be considered as non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Description of key information

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 10.274 mg/l on Fish for substance 2,3,5-trimethylphenol (CAS no.697-82-5) on the basis of mortality effects using neutral organics class for prediction.Based on this value it can be concluded that the substance 2,3,5-trimethylphenol is considered to be toxic to Fish. Since the test chemical is readily biodegradable in nature, chemical 2,3,5-trimethylphenol can be considered as non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

10.274 mg/L

Additional information

Two predicted models represents the data for short term fish toxicity of test chemical 2,3,5-trimethylphenol (Cas no. 697-82-5) were summarize as follows:

First model from EPI Suite ECOSAR version 1.10 prediction indicate the 96 hours LC50 was estimated to be 10.274 mg/l on Fish for substance 2,3,5-trimethylphenol (CAS no.697-82-5) on the basis of mortality effects using neutral organics class for prediction.Based on this value it can be concluded that the substance 2,3,5-trimethylphenol is considered to be toxic to Fish. Since the test chemical is readily biodegradable in nature, chemical 2,3,5-trimethylphenol can be considered as non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

And another prediction suggest the estimated 96 hrs LC50 value of test substance 2,3,5-trimethylphenol on Fathead minnow was determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. Based on mortality, the estimated 96 hrs LC50 value was predicted to be 14.22226 mg/l.

Thus based on both prediction for target 2,3,5-trimethylphenol (Cas no. 697-82-5) give the lethal concentration is in the range of 10.274- 14.22226 mg/l but the chemical is readily biodegradable in nature, thus considered as non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.