Phenol, isopropylated

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: screening test, other

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:

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. Validated QSAR calculation method, using BIOWIN v4.10 model from the EPA ECOSAR Suite. A QPRF is attached. The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data. 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 BIOWIN v4.10 model from the EPA ECOSAR Suite. A QPRF is attached. The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data.

GLP compliance:

no

Specific details on test material used for the study:

Not applicable – QSAR Assessment

Oxygen conditions:

other: Not applicable – QSAR Assessment

Inoculum or test system:

other: Not applicable – QSAR Assessment

Details on inoculum:

Not applicable – QSAR Assessment

Details on study design:

Not applicable – QSAR Assessment

Preliminary study:

Not applicable – QSAR Assessment

Test performance:

Not applicable – QSAR Assessment

Key result

Parameter:

probability of ready biodegradability (QSAR/QSPR)

Remarks on result:

not readily biodegradable based on QSAR/QSPR prediction

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™ BIOWIN v4.10 model assessment of ready biodegradation is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. The reaction mass is deemed to be “not readily biodegradable. On the basis of an average value, Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.

Results for each component, utilising the BIOWIN v4.10 model are as follows:

Chemical name	SMILES	READY BIODEGRADATION
2-isopropylphenol EC no.: 201-852-8	CC(C)c1ccccc1O	Not biodegradable.
Phenol EC no.: 203-632-7	Oc1ccccc1	Degradation rates > 70 % in < 10 d. (taken from REACH registration)
p-isopropylphenol EC no.: 202-798-8	CC(C)c1ccc(O)cc1	Not biodegradable.
2,4-diisopropylphenol EC no.: 220-906-1	CC(C)c1ccc(O)c(c1)C(C)C	Not biodegradable.

Refer to appended output below.

Validity criteria fulfilled:

yes

Interpretation of results:

not readily biodegradable

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™ BIOWIN v4.10 model assessment of ready biodegradation is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. The reaction mass is deemed to be “not readily biodegradable. 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™ BIOWIN v4.10 model assessment of ready biodegradation is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. The reaction mass is deemed to be “not readily biodegradable. 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™ BIOWIN v4.10 model assessment of ready biodegradation is utilised to assess each component with the exception of phenol (which carries significant data already), with the associated range of results reported. The reaction mass is deemed to be “not readily biodegradable. 

Key value for chemical safety assessment

Biodegradation in water:

under test conditions no biodegradation observed

Type of water:

freshwater

Additional information

On the basis of an average value,Environment Category Chronic 2: H411: Toxic to aquatic life with long lasting effects is assigned.