Potassium dodecyl sulphate

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:

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):

Raphidocelis subcapitata (previous names: Pseudokirchneriella 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.