Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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