[No public or meaningful name is available]

Long-term toxicity to fish

Administrative data

Endpoint:

long-term toxicity to fish

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: A QSAR model, ECOSAR was used to estimate long-term toxicity to fish.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2014

Report date:

2014

Materials and methods

Test guideline

Qualifier:

no guideline required

Principles of method if other than guideline:

The QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the long-term toxicity to fish. The following measured values were used in the model: log Kow = 4.0, water solubility = 530 mg/L and melting point = -0.9 C.

Test material

Test material information

Constituent 1

Reference substance name:

2-(1,1-dimethylpropyl)phenol

EC Number:

221-916-9

EC Name:

2-(1,1-dimethylpropyl)phenol

Cas Number:

3279-27-4

IUPAC Name:

2-(1,1-dimethylpropyl)phenol

Constituent 2

Reference substance name:

o-tert-amylphenol

IUPAC Name:

o-tert-amylphenol

Details on test material:

SMILES notation used: Oc1ccccc1C(CC)(C)C

Test organisms

Test organisms (species):

other: fish

Study design

Water media type:

freshwater

Results and discussion

Effect concentrations

Duration:

30 d

Dose descriptor:

other: chronic value (geometric mean of NOEC and LOEC)

Effect conc.:

0.117 mg/L

Details on results:

As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value. Therefore, the calculated NOEC = 0.082 mg/L and will be used in the assessment.

Applicant's summary and conclusion

Conclusions:

Using a reliable QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the 30d ChV for fish to be 0.117 mg/L.

Executive summary:

A reliable QSAR model (Ecological Structure-Activity Relationship (ECOSAR) version 1.11) was used to predict the chronic aquatic toxicity of o-tert-Amylphenol (otAP) to fish. The 30 day chronic value (the geometric mean of the NOEC and LOEC) were 0.117 mg/L and 0.262 mg/L for the phenols class and neutral organic class, respectively. Since o-tert-amylphenol is in the class of phenols, the result for the phenol class will be used as key for long-term toxicity to fish. As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value. Therefore, the calculated NOEC = 0.083 mg/L and will be used in the assessment.