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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Results and discussion

Any other information on results incl. tables

Overview of QSARs estimations on long-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; 14-day, fish) =0.390 mg/L (ppm);

Fish, ChV (30-day, chronic value, phenols) =0.037 mg/L (ppm);

Fish, ChV (60-day, chronic value, phenols)= 0.006 mg/L (ppm);

Fish, ChV (chronic value, Neutral Organic SAR (Baseline Toxicity) )= 0.041 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; 14-day, fish) =1.096 mg/L (ppm);

Fish, ChV (30-day, chronic value, phenols) =0.075 mg/L (ppm);

Fish, ChV (60-day, chronic value, phenols)= 0.006 mg/L (ppm);

Fish, ChV (chronic value, Neutral Organic SAR (Baseline Toxicity) )= 0.113 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; 14-day, fish) =0.071 mg/L (ppm);

Fish, ChV (30-day, chronic value, phenols) =0.012 mg/L (ppm);

Fish, ChV (60-day, chronic value, phenols)= 0.006 mg/L (ppm);

Fish, ChV (chronic value, Neutral Organic SAR (Baseline Toxicity) )= 0.008 mg/L (ppm);

 

Reliable with

restrictions,

QSAR estimated

data

ECOSAR

Program

(v1.00)

Applicant's summary and conclusion

Conclusions:
The data correspond to Category 1Chronic Aquatic toxicity