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Ecotoxicological information

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 the QMRF report has been attached.
Qualifier:
according to guideline
Guideline:
other: estimated data
Version / remarks:
no data
Deviations:
not specified
Principles of method if other than guideline:
Prediction was done using OECD QSAR toolbox 3.3.
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material : Potassium dodecyl sulfate
- Molecular formula : C12H25KO4S
- Molecular weight : 304.49 g/mol
- Smiles notation : S(OCCCCCCCCCCCC)(=O)([O-])=O.[K+]
- InChl : 1S/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid
Analytical monitoring:
not specified
Details on sampling:
No data
Vehicle:
not specified
Details on test solutions:
No data
Test organisms (species):
Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum)
Details on test organisms:
No data
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
72 h
Remarks on exposure duration:
No data
Post exposure observation period:
No data
Hardness:
150-200 mg/mL
Test temperature:
21
pH:
7.1
Dissolved oxygen:
No data
Salinity:
No data
Conductivity:
No data
Nominal and measured concentrations:
No data
Details on test conditions:
No data
Reference substance (positive control):
not specified
Key result
Duration:
72 h
Dose descriptor:
EC50
Effect conc.:
130.391 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: non toxic
Details on results:
No data
Results with reference substance (positive control):
No data
Reported statistics and error estimates:
No data

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Alkyl sulfates by OECD HPV Chemical Categories

Domain logical expression index: "b"

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

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alkoxy OR Sulfate by Organic Functional groups ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Alkoxy OR Overlapping groups OR Sulfate by Organic Functional groups (nested) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Miscellaneous sulfide (=S) or oxide (=O) OR Suflur {v+4} or {v+6} OR Sulfate, linear [-O-SO2-O-] OR Sulfite, linear [-OS(=O)O-] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Anion OR Cation OR Sulfuric acid derivative by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as H-acceptor-path3-H-acceptor by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as alpha,beta-unsaturated carbonyls OR No alert found by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Carboxylic acids (Hepatotoxicity) No rank by Repeated dose (HESS)

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.217

Domain logical expression index: "n"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.46

Validity criteria fulfilled:
not specified
Conclusions:
The EC50 value was estimated to be 130.39 mg/l when Potassium dodecyl sulfate exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.
Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the eight closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for4706 -78 -9 (Potassium dodecyl sulfate).The EC50 value was estimated to be 130.39 mg/l when Potassium dodecyl sulfate exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.

Description of key information

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the eight closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for4706 -78 -9 (Potassium dodecyl sulfate).The EC50 value was estimated to be 130.39 mg/l when Potassium dodecyl sulfate exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.

Key value for chemical safety assessment

EC50 for freshwater algae:
130.39 mg/L

Additional information

Based on the various experimental data and prediction data for the target chemical and read across chemicals have been reviewed to determine the toxic nature of target chemical Potassium dodecyl sulfate (4706-78-9) on the growth of algae. The studies are as mentioned below:

 

In the first weight of evidence study according to the QSAR toolbox for Potassium dodecyl sulfate (4706-78-9), Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the eight closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for 4706 -78 -9 (Potassium dodecyl sulfate).The EC50 value was estimated to be 130.39 mg/l when Potassium dodecyl sulfate exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.

 

In another weight of evidence study for read across chemical which support QSAR classification was decane (124-18-5) from ecotox 2017, Evaluation of short term toxicity of decane on the growth of Skeletonema costatumon for 96 hrs. Based on growth inhibition of Chlorophyll A concentration of Skeletonema costatum by the exposure of decane the EC50 was 500mg/l. Based on the EC50 value chemical consider as nontoxic to diatoms and consider as not classified as per the CLP classification criteria.

 

Based on the data obtain from various databases ecotox, QSAR toolbox version 3.3 for target chemicals Potassium dodecyl sulfate (4706-78-9) and RA chemical decane (124-18-5), Potassium dodecyl sulfate (4706-78-9) was not toxic to the daphnia magna and it was consider as not classified as per the CLP classification criteria.