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Toxicity to aquatic algae and cyanobacteria

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Reference
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:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Data is from OECD QSAR toolbox version.3.3 and QMRF report has been attached.
Qualifier:
according to
Guideline:
other: as,mentioned below
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material (as cited in study report): 4-Nonylphenol, ethoxylated
- Molecular formula (if other than submission substance): C19 H32 O3
- Molecular weight (if other than submission substance):308.47 g/mol
- Substance type: Organic
- Physical state: Solid
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum)
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
72 h
Test temperature:
24±2 °C
Duration:
72 h
Dose descriptor:
EC50
Effect conc.:
4.29 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((((("a" or "b" or "c" or "d" or "e" )  and "f" )  and ("g" and ( not "h") )  )  and "i" )  and ("j" and ( not "k") )  )  and "l" )  and ("m" and "n" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Nonionic Surfactants by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alcohol AND Alkyl arenes AND Aryl AND Ether by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alcohol OR Alkyl arenes OR Aryl OR Ether by Organic Functional groups ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon [C] OR Hydroxy, aliphatic attach [-OH] OR Olefinic carbon [=CH- or =C<] OR Oxygen, aliphatic attach [-O-] OR Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Alcohol OR Alkylarylether OR Aromatic compound OR Dialkylether OR Ether OR Hydroxy compound OR Primary alcohol by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Basesurface narcotics by Acute aquatic toxicity MOA by OASIS ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Neutral Organics by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Benzyl Alcohols OR Salt OR SHOULD NOT BE PROFILED OR Thiols and Mercaptans by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Moderate by Bioaccumulation - metabolism half-lives ONLY

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as No alert found by DNA alerts for AMES, MN and CA by OASIS v.1.3

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as SN1 OR SN1 >> Alkylation after metabolically formed carbenium ion species OR SN1 >> Alkylation after metabolically formed carbenium ion species >> Polycyclic Aromatic Hydrocarbon Derivatives OR SN2 OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives by DNA alerts for AMES, MN and CA by OASIS v.1.3

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Alcohol AND Alkylarylether AND Aromatic compound AND Dialkylether AND Ether AND Hydroxy compound AND Primary alcohol by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is >= 3.17

Domain logical expression index: "n"

Parametric boundary:The target chemical should have a value of log Kow which is <= 6.66

Validity criteria fulfilled:
not specified
Conclusions:
Using OECD QSAR toolbox version 3.3, the effective concentration EC50 value for 4-Nonylphenol, ethoxylated, in Pseudokirchneriella subcapitata (algae) in 72 hrs study was predicted to be 4.29 mg/l considering growth rate. Based on the value obtained, it can be concluded that the 4-Nonylphenol, ethoxylated is toxic to algae.
Executive summary:

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the toxicity to algae was predicted for 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3). Effect concentration i.e EC50 value was estimated to be 4.29 mg/l for Daphnia magna for 72 hrs duration. It was concluded that the 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3) was likely to be toxic to algae, hence it can be considered to be classified as per the CLP classification criteria for aquatic environment.

Description of key information

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3). EC50 value was estimated to be 4.29 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3) is likely to be toxic to aquatic environment and can be considered to be "aquatic chronic 2" as per the CLP classification criteria.

Key value for chemical safety assessment

EC50 for freshwater algae:
4.29 mg/L

Additional information

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3).

EC50 value was estimated to be 4.29 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3) is likely to be non toxic to aquatic environment and can be considered to be toxic as per the CLP classification criteria.

 

Two studies including predicted data from validated tools and experimental data from secondary source for toxicity to aquatic algae endpoint of test chemical4-Nonylphenol, ethoxylated (Cas no. 26027-38-3) with relevant read across which is close to target using log Kow as primary descriptor were

summarised as follows:

 

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3). EC50 value was estimated to be 4.29 mg/l for Pseudokirchneriella subcapitata for 72 h duration.

Predicted result for target supported by experimental data of read across chemical4-Nonylphenol, ethoxylated (Cas no. 26027-38-3)from robust summary of the IUCLID DATASET,ICI Internal Report BL4737/B1993 method the effect concentation (EC50) of substance4-Nonylphenol, ethoxylated (Cas no. 26027-38-3)in test speciesSkeletonema costatumwas observed to be2.5 mg/l  on the basis of Growth Rate effect for 72 hrs exposure period.

 

Thus based on the effect concentrations which is in the range 2.5 mg/l to 4.29 give the conclusion that test substance4-Nonylphenol, ethoxylated (Cas no. 26027-38-3)was likely to be toxic to aquatic algae at environmentally relevant concentrations and can be considered to be classified as "aquatic chronic 2"per the CLP classification criteria.