Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
short-term toxicity to aquatic invertebrates
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 v 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 v 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):
Daphnia magna
Details on test organisms:
no data
Test type:
static
Water media type:
freshwater
Total exposure duration:
48 h
Remarks on exposure duration:
no data
Post exposure observation period:
no data
Hardness:
no data
Test temperature:
no data
pH:
no data
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:
48 h
Dose descriptor:
EC50
Effect conc.:
164.228 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mobility
Remarks on result:
other: no more information
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 5 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 "j" )  and ("k" and ( not "l") )  )  and ("m" and ( not "n") )  )  and ("o" and "p" )  )

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 Bioavailable by Lipinski Rule Oasis ONLY

Domain logical expression index: "j"

Similarity boundary:Target: CCCCCCCCCCCCOS(=O)(=O)O{-}.K{+}
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as No alert found by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Michael Addition OR Michael Addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael Addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-Carbonyl compounds with polarized double bonds  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as No Data by Ultimate biodeg

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as > 100 days by Ultimate biodeg

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.757

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.52

Validity criteria fulfilled:
not specified
Conclusions:
The EC50 value was estimated to be 164.22mg/l when Potassium dodecyl sulfate exposed to Daphnia magna for 48hrs.
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 five closest read across substances, toxicity on Daphnia magna was predicted for 4706 -78 -9 (Potassium dodecyl sulfate). The EC50 value was estimated to be 164.22mg/l when Potassium dodecyl sulfate exposed to Daphnia magna for 48hrs.

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 five closest read across substances, toxicity on Daphnia magna was predicted for 4706 -78 -9 (Potassium dodecyl sulfate). The EC50 value was estimated to be 164.22mg/l when Potassium dodecyl sulfate exposed to Daphnia magna for 48hrs.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates
Effect concentration:
164.22 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). The studies are as mentioned below:

 

In the first weight of evidence study according to the QSAR toolbox for 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 five closest read across substances, toxicity on Daphnia magna was predicted for 4706 -78 -9 (Potassium dodecyl sulfate). The EC50 value was estimated to be 164.22mg/l when Potassium dodecyl sulfate exposed to Daphnia magna for 48hrs.

 

In another weight of evidence study for read across chemical which support QSAR classification was Ammonium peroxydisulfate (7727-54-0), the study carried out for the determination of toxic level of chemical Ammonium peroxydisulfate. Daphnia magna taken as a test organism in the study. Test chemical expose with the 5 daphnia magna for 48hrs by performing static method. Based on mortality of the test organism daphnia magna by test chemical Ammonium peroxydisulfate, the EC50 was (101mg/l) 101000ug/l.

 

In the third weight of evidence study for second RA chemical was ferrous sulphate (7727-78-7) from ecotox databases, 2017. Evaluation of short term toxicity of Ferrous sulfate on the growth of daphnia magna for 16 hrs. Daphnia magna taken as a test organism. Static method was performed. Based on the immobilization of daphnia magna by the ferrous sulphate the 16hrs NOEC value was 152 mg/l. Based on the NOEC concentration Ferrous sulfate consider as non-toxic to daphnia magna and consider as not classified as per mention in CLP classification criteria.

 

Similarly in the another weight of evidence study for read across chemical which support QSAR classification was Ammonium peroxydisulfate (7727-54-0) from SIDS report 2005. Evaluation of toxic nature of ammonium persulphate on the growth of Daphnia magna. <24 hours ages of daphnia magna was used under the static method. The 95% confidence interval was (103-139 mg/L).Test solutions were prepared from a stock solution of 10 g ammonium persulfate/L in filtered, deionized, well water. Immobilization and some abnormal behavior was observed because of exposure of chemical with daphnia magna. Based on the immobilization of daphnia magna by the ammonium persulphate, the EC50 value was 120 mg/l. Based on the EC50 value ammonium persulphate was nontoxic and it is consider as not classified as per the CLP classification criteria.

 

Based on the data obtain from various databases ecotox, QSAR toolbox version 3.3, SIDS report for target and RA chemicals 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.