[No public or meaningful name is available]

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:

toxicity to aquatic algae and cyanobacteria

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); US EPA, EPI Suite v 4.00

GLP compliance:

no

Remarks:

not applicable to QSAR models

Test material

Test material information

Constituent 1

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

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

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 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 algae and aquatic plants

 

Method	Results	Remarks	Reference
2,6-di-tert-butyl-p-cresol (CAS No. 128-37-0)
QSAR estimate	Acute Aquatic Ecotoxicity: EC50 (96-hour, Phenols, Green Algae) =0.758 mg/L (ppm); EC50 (96-hour, Neutral Organic SAR (Baseline Toxicity), Green Algae) =0.577 mg/L (ppm).	Reliable with restrictions, QSAR estimated Data	ECOSAR Program (v1.00)
QSAR estimate	Chronic Aquatic Ecotoxicity: ChV (chronic value, Phenols, Green Algae) =0.343 mg/L (ppm); EC50 (7-day, Phenols, Lemna Gibba) =0.064 mg/L (ppm); ChV (chronic value, Neutral Organic SAR (Baseline Toxicity), Green Algae) =0.363 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	Acute Aquatic Ecotoxicity: EC50 (96-hour, Phenols, Green Algae) =1.530 mg/L (ppm); EC50 (96-hour, Neutral Organic SAR (Baseline Toxicity), Green Algae) =1.174 mg/L (ppm).	Reliable with restrictions, QSAR estimated Data	ECOSAR Program (v1.00)
QSAR estimate	Chronic Aquatic Ecotoxicity: ChV (chronic value, Phenols, Green Algae) =0.696 mg/L (ppm); EC50 (7-day, Phenols, Lemna Gibba) =0.180 mg/L (ppm); ChV (chronic value, Neutral Organic SAR (Baseline Toxicity), Green Algae) =0.668 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	Acute Aquatic Ecotoxicity: EC50 (96-hour, Phenols, Green Algae) =0.230 mg/L (ppm); EC50 (96-hour, Neutral Organic SAR (Baseline Toxicity), Green Algae) =0.173 mg/L (ppm).	Reliable with restrictions, QSAR estimated Data	ECOSAR Program (v1.00)
QSAR estimate	Chronic Aquatic Ecotoxicity: ChV (chronic value, Phenols, Green Algae) =0.103 mg/L (ppm); EC50 (7-day, Phenols, Lemna Gibba) =0.012mg/L (ppm); ChV (chronic value, Neutral Organic SAR (Baseline Toxicity), Green Algae) =0.127 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 & Chronic Aquatic toxicity