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EC number: 247-557-8 | CAS number: 26264-06-2
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- QSAR prediction:US EPA accepted QSAR method for chemicals properties assessment.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR model
- Principles of method if other than guideline:
- EPI Suite v 4.0/ECOSARv1.00
- GLP compliance:
- no
- Remarks:
- not applicable. QSAR model
- Analytical monitoring:
- not required
- Vehicle:
- no
- Test organisms (species):
- other: Daphnid species
- Test type:
- other: QSAR model
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Hardness:
- not applicable. QSAR model
- Test temperature:
- not applicable. QSAR model
- pH:
- not applicable. QSAR model
- Dissolved oxygen:
- not applicable. QSAR model
- Salinity:
- not applicable. QSAR model
- Nominal and measured concentrations:
- not applicable. QSAR model
- Details on test conditions:
- CAS Number: 26264-06-2
SMILES : CCCCCCCCCCCCc1ccc(S(=O)(=O)OOS(=O)(=O)c2ccc(CCCCCCCCCCCC)cc2)cc1
CHEM : Benzenesulfonic acid, dodecyl-, calcium salt
MOL FOR: C36 H58 O6 S2 Ca1
MOL WT : 691.06
Wat Sol: 0.006264 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Log Kow: 4.770
Remarks: Anionic surfactant – alkyl benzene sulfonates; effective alkyl chain length = C12 - Reference substance (positive control):
- not required
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 1.276 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Details on results:
- The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 1.276 mg/l therefore that the substance is moderately toxic to Daphnid.
- Validity criteria fulfilled:
- yes
- Remarks:
- US EPA accepted QSAR method for chemicals properties assessment.
- Conclusions:
- The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 1.276 mg/l therefore that the substance is moderately toxic to Daphnid.
- Executive summary:
The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 1.276 mg/l therefore that the substance is moderately toxic to Daphnid.
Daphnid , 48-hr LC50 = 1.276 mg/L (ppm)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- C12 LAS; Linear Alkylbenzene Sulfonate (LAS)) is a very close analogue of Calcium dodecylbenzenesulfonate (CAS No 26264-06-2, EC Number; 247-557-8) ) and read-across is valid.
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The effects of four concentrations of dodecyl benzene sulfonate at four salinity levels on adult Tisbe bulbisetosa were studied in laboratory experiments. The DBS solutions were analysed by the methylene method to control their stability with time.
The stock solution has been prepared by dissolving 100 mg of pure DBS to 100 mL of distilled water. Test solutions for this test have been obtained both by diluting 3, 6, 9, 12 mL of the stock solution in filtered seawater at a determined level of salinity to 1000 mL, and by diluting the fixed amount stock solution in seawater of 9, 12, 18, 36‰ salinity. - GLP compliance:
- not specified
- Analytical monitoring:
- yes
- Vehicle:
- no
- Details on test solutions:
- The stock solution has been prepared by dissolving 100 mg of pure DBS to 100 mL of distilled water. Test solutions for this test have been obtained both by diluting 3, 6, 9, 12 mL of the stock solution in filtered seawater at a determined level of salinity to 1000 mL, and by diluting the fixed amount stock solution in seawater of 9, 12, 18, 36‰ salinity.
- Test organisms (species):
- other aquatic crustacea: Tisbe bulbisetosa
- Details on test organisms:
- Tisbe bulbisetosa : adult female
- Test type:
- not specified
- Water media type:
- saltwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Nominal and measured concentrations:
- This study is the combined effects of four concentrations (0, 3, 6, 9, 12 ppm) of DBS at four salinity (9, 12, 18, 360) on adult Tisbe bulbisetosa.
- Reference substance (positive control):
- not required
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 4.58 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: (18‰ salinity) = 4.58 ppm(95% confidence interval: 4.00 to 5.24)
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 5.12 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: (36‰ salinity) = 5.12 ppm(95% confidence interval: 4.27 to 6.13)-
- Details on results:
- - 48 hr-LC50 (36‰ salinity) = 5.12 ppm(95% confidence interval: 4.27 to 6.13)- 48 hr-LC50 (18‰ salinity) = 4.58 ppm(95% confidence interval: 4.00 to 5.24)
A 48 h LC50 of 4.58 mg/L (18‰ salinity) and 5.1 mg/L (36‰ salinity) has been determined for the effects of the substance Dodecylbenzenesulfonate (DBS) on mortality of the Tisbe bulbisetosa. - Validity criteria fulfilled:
- yes
- Conclusions:
- A 48 h LC50 of 4.58 mg/L (18‰ salinity) and 5.1 mg/L (36‰ salinity) has been determined for the effects of the substance Dodecylbenzenesulfonate (DBS) on mortality of the Tisbe bulbisetosa.
Referenceopen allclose all
Overview of QSARs estimations on short-term aquatic toxicity of
Calcium dodecylbenzenesulphonate/ Benzenesulfonic acid, dodecyl-, calcium salt
to Daphnid
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Daphnid , 48-hr LC50 =1.276 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) = 0.253 mg/L (ppm)
|
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Using the EPIWIN ECOSAR QSAR model aLC50 for fresh water Daphnid of 1.276 mg/l was established.
Daphnid , 48-hr LC50 =1.276 mg/L (ppm)
Daphnid, 30-day, ChV (chronic value) = 0.253 mg/L (ppm)
Description of key information
The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 1.276 mg/l therefore that the substance (Calcium dodecylbenzenesulphonate) is moderately toxic to Daphnid.
A 3h LC50 of 40 mg/L has been determined for the effects of the test substance (Calcium dodecylbenzenesulphonate) on mortality of the Daphnia pulex and Daphnia carinata
A 48 h EC50 of 2.5 mg/L has been determined for the effects of the substance (dodecylbenzenesulphonic acid, compound with isopropylamine (1:1)) on Immobility of the Daphnia magna.
A 48 h LC50 of 4.58 mg/L (18‰ salinity) and 5.1 mg/L (36‰ salinity) has been determined for the effects of the substance Dodecylbenzenesulfonate (DBS) on mortality of the Tisbe bulbisetosa.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 1.276 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 4.58 mg/L
Additional information
The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 1.276 mg/l therefore that the substance (Calcium dodecylbenzenesulphonate) is moderately toxic to Daphnid.
A 3h LC50 of 40 mg/L has been determined for the effects of the test substance (Calcium dodecylbenzenesulphonate) on mortality of the Daphnia pulex and Daphnia carinata
A 48 h EC50 of 2.5 mg/L has been determined for the effects of the substance (dodecylbenzenesulphonic acid, compound with isopropylamine (1:1)) on Immobility of the Daphnia magna.
A 48 h LC50 of 4.58 mg/L (18‰ salinity) and 5.1 mg/L (36‰ salinity) has been determined for the effects of the substance Dodecylbenzenesulfonate (DBS) on mortality of the Tisbe bulbisetosa.
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