Registration Dossier

Administrative data

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Regulatory accepted QSAR method for organic chemicals properties assessment.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR method
Principles of method if other than guideline:
ECOSAR Program (v1.00)
GLP compliance:
no
Remarks:
not applicable to QSAR models

Test material

Constituent 1
Chemical structure
Reference substance name:
2,6-di-tert-butyl-p-cresol
EC Number:
204-881-4
EC Name:
2,6-di-tert-butyl-p-cresol
Cas Number:
128-37-0
Molecular formula:
C15H24O
IUPAC Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
Constituent 2
Chemical structure
Reference substance name:
2,6-di-tert-butylphenol
EC Number:
204-884-0
EC Name:
2,6-di-tert-butylphenol
Cas Number:
128-39-2
Molecular formula:
C14H22O
IUPAC Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-
Constituent 3
Chemical structure
Reference substance name:
4,6-di-tert-butyl-o-cresol
EC Number:
210-485-2
EC Name:
4,6-di-tert-butyl-o-cresol
Cas Number:
616-55-7
Molecular formula:
C15H24O
IUPAC Name:
Phenol, 2,4-bis(1,1-dimethylethyl)-6-methyl-
Details on test material:
data for components

Test organisms

Test organisms (species):
other: fish

Results and discussion

Any other information on results incl. tables

Sublethal observations / clinical signs:

Overview of QSARs estimations on short-term aquatic toxicity of Reaction mass of 2,6-di-tert-butyl-p-cresol, 4,6-di-tert-butyl-o-cresol and 2,6-di-tert-butylphenol components to fish

 

Method

 

Results

Remarks

Reference

2,6-di-tert-butyl-p-cresol (CAS No. 128-37-0)

 

QSAR

estimate

LC50 (Phenols; 96-hour, fish) =0.199 mg/L (ppm);

LC50 (Phenols; 96-hour, fish SW) =0.023 mg/L (ppm);

LC50 (Neutral Organic SAR (Baseline Toxicity); 96-hour, fish) =0.464 mg/L (ppm)

 

Reliable with

restrictions,

QSAR estimated

data

ECOSAR

Program

(v1.00)

2,6-di-tert-butylphenol (CAS No. 128-39-2)

 

QSAR

estimate

LC50 (Phenols; 96-hour, fish) =0.469 mg/L (ppm);

LC50 (Phenols; 96-hour, fish SW) =0.076 mg/L (ppm);

LC50 (Neutral Organic SAR (Baseline Toxicity); 96-hour, fish) =1.262 mg/L (ppm)

 

Reliable with

restrictions,

QSAR estimated

data

ECOSAR

Program

(v1.00)

4,6-di-tert-butyl-o-cresol (CAS No. 616-55-7)

 

QSAR

estimate

LC50 (Phenols; 96-hour, fish) =0.047 mg/L (ppm);

LC50 (Phenols; 96-hour, fish SW) =0.003 mg/L (ppm);

LC50 (Neutral Organic SAR (Baseline Toxicity); 96-hour, fish) =0.089 mg/L (ppm)

 

Reliable with

restrictions,

QSAR estimated

data

ECOSAR

Program

(v1.00)

Applicant's summary and conclusion

Conclusions:
The data correspond to Category 1 Acute Aquatic toxicity