Phenol, isopropylated

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

February 2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

Validated QSAR calculation method, using ECOSAR v1.11 model. A QPRF is attached. The substances are within the scope of the EPISuite model data set, and is in model Applicability Domain. Further details can be found within the appended report below or at http://www.epa.gov/oppt/exposure/pubs/episuite.htm. This system is recognised in ECHA Guidance document CHAPTER R.6 – QSARS AND GROUPING OF CHEMICALS, Pg 47

Qualifier:

no guideline followed

Principles of method if other than guideline:

The substance is a multi-constituent substance of limited solubility. CLP classification is available for the individual components of the substance via REACH Annex VI harmonised classifications, REACH Registration dossiers or notifications to the CLP inventory. As such, it is deemed inappropriate to conduct additional testing on the reaction mass subject to this registration when the results may be predicted on the basis of the components themselves. QSAR assessment using US EPA On-Line EPI Suite™ ECOSAR v1.11 model assessment of Algal Inhibition is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. Details on the US EPA On-Line EPI Suite™ ECOSAR v1.11 programme are detailed below.

GLP compliance:

no

Analytical monitoring:

not required

Details on sampling:

Not applicable - QSAR assessment.

Vehicle:

no

Details on test solutions:

Not applicable - QSAR assessment.

Test organisms (species):

other: Not applicable - QSAR assessment.

Details on test organisms:

Not applicable - QSAR assessment.

Test type:

other: QSAR assessment.

Water media type:

not specified

Limit test:

no

Remarks on exposure duration:

Not applicable - QSAR assessment.

Post exposure observation period:

Not applicable - QSAR assessment.

Hardness:

Not applicable - QSAR assessment.

Test temperature:

Not applicable - QSAR assessment.

pH:

Not applicable - QSAR assessment.

Dissolved oxygen:

Not applicable - QSAR assessment.

Salinity:

Not applicable - QSAR assessment.

Nominal and measured concentrations:

Not applicable - QSAR assessment.

Details on test conditions:

Not applicable - QSAR assessment.

Reference substance (positive control):

not required

Key result

Duration:

96 h

Dose descriptor:

EC50

Effect conc.:

>= 1.432 - <= 8.423 mg/L

Nominal / measured:

estimated

Conc. based on:

other: QSAR

Basis for effect:

other: QSAR

Remarks on result:

other: 4 main components are assessed; see below.

Details on results:

The substance is a multi-constituent substance of limited solubility. CLP classification is available for the individual components of the substance via REACH Annex VI harmonised classifications, REACH Registration dossiers or notifications to the CLP inventory. As such, it is deemed inappropriate to conduct additional testing on the reaction mass subject to this registration when the results may be predicted on the basis of the components themselves. QSAR assessment using US EPA On-Line EPI Suite™ ECOSAR v1.11 model assessment of Algal Inhibition is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.

Results with reference substance (positive control):

Not applicable - QSAR assessment.

Reported statistics and error estimates:

Not applicable - QSAR assessment.

Results for each component, utilising the ECOSAR v1.11 model are as follows:

Chemical name	SMILES	Algae
2-isopropylphenol EC no.: 201-852-8	CC(C)c1ccccc1O	96-hr EC50 8.423 mg/l
Phenol EC no.: 203-632-7	Oc1ccccc1	96-hr EC5061.1 mg/L (taken from REACH registration)
p-isopropylphenol EC no.: 202-798-8	CC(C)c1ccc(O)cc1	96-hr EC50 8.423 mg/l
2,4-diisopropylphenol EC no.: 220-906-1	CC(C)c1ccc(O)c(c1)C(C)C	96-hr EC50 1.432 mg/l

Refer to appended output below.

Validity criteria fulfilled:

yes

Conclusions:

The substance is a multi-constituent substance of limited solubility. CLP classification is available for the individual components of the substance via REACH Annex VI harmonised classifications, REACH Registration dossiers or notifications to the CLP inventory. As such, it is deemed inappropriate to conduct additional testing on the reaction mass subject to this registration when the results may be predicted on the basis of the components themselves. QSAR assessment using US EPA On-Line EPI Suite™ ECOSAR v1.11 model assessment of Algal Inhibition is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. 96-h EC 50 results were obtained in the range of 1.432 to 8.423 mg/l. Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.

Executive summary:

The substance is a multi-constituent substance of limited solubility. CLP classification is available for the individual components of the substance via REACH Annex VI harmonised classifications, REACH Registration dossiers or notifications to the CLP inventory. As such, it is deemed inappropriate to conduct additional testing on the reaction mass subject to this registration when the results may be predicted on the basis of the components themselves. QSAR assessment using US EPA On-Line EPI Suite™ ECOSAR v1.11 model assessment of Algal Inhibition is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. 96-h EC 50 results were obtained in the range of1.432 to 8.423 mg/l. Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.

Description of key information

The substance is a multi-constituent substance of limited solubility. CLP classification is available for the individual components of the substance via REACH Annex VI harmonised classifications, REACH Registration dossiers or notifications to the CLP inventory. As such, it is deemed inappropriate to conduct additional testing on the reaction mass subject to this registration when the results may be predicted on the basis of the components themselves. QSAR assessment using US EPA On-Line EPI Suite™ ECOSAR v1.11 model assessment of Algal Inhibition is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. 96-h EC50 results were obtained in the range of 1.432 to 8.423 mg/l. Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.

Key value for chemical safety assessment

EC50 for freshwater algae:

1.432 mg/L