Phenol, isopropylated

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to aquatic invertebrates

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:

Validated QSAR calculation method, using ECOSAR v1.11 model. A QPRF is attached. The substances is recognised as part of the rulebase utilised by the EPI Suite 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

GLP compliance:

no

Specific details on test material used for the study:

Not applicable - QSAR

Analytical monitoring:

not required

Details on sampling:

Not applicable - QSAR

Vehicle:

no

Details on test solutions:

Not applicable - QSAR

Test organisms (species):

other: Not applicable - QSAR

Details on test organisms:

Not applicable - QSAR

Test type:

other: Not applicable - QSAR

Water media type:

other: Not applicable - QSAR

Limit test:

no

Remarks on exposure duration:

Not applicable - QSAR

Post exposure observation period:

Not applicable - QSAR

Hardness:

Not applicable - QSAR

Test temperature:

Not applicable - QSAR

pH:

Not applicable - QSAR

Dissolved oxygen:

Not applicable - QSAR

Salinity:

Not applicable - QSAR

Conductivity:

Not applicable - QSAR

Nominal and measured concentrations:

Not applicable - QSAR

Details on test conditions:

Not applicable - QSAR

Reference substance (positive control):

not required

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

>= 0.394 - <= 3.1 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 acute toxicity to Daphnia is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. 48-h EC 50 results were obtained in the range of 0.394 to 3.1 mg/l. On the basis of an average value, 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	Daphnia
2-isopropylphenol EC no.: 201-852-8	CC(C)c1ccccc1O	48-hr LC50 2.012 mg/L
Phenol EC no.: 203-632-7	Oc1ccccc1	EC50/LC50: 3.1 mg/L (taken from REACH registration)
p-isopropylphenol EC no.: 202-798-8	CC(C)c1ccc(O)cc1	48-hr LC50 2.012 mg/L
2,4-diisopropylphenol EC no.: 220-906-1	CC(C)c1ccc(O)c(c1)C(C)C	48-hr LC50 0.394 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 acute toxicity to Daphnia is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. 48-h EC 50 results were obtained in the range of 0.394 to 3.1 mg/l. On the basis of an average value, 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 acute toxicity to Daphnia is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. 48-h EC 50 results were obtained in the range of 0.394to3.1mg/l. On the basis of an average value,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 acute toxicity to Daphnia is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. 48-h EC 50 results were obtained in the range of 0.394 to 3.1mg/l. On the basis of an average value, Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

2.012 mg/L

Additional information

Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.