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Diss Factsheets

Ecotoxicological information

Sediment toxicity

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
sediment toxicity: long-term
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 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 4.1/ECOSARv1.00
GLP compliance:
no
Remarks:
not applicable. QSAR model
Analytical monitoring:
not required
Vehicle:
no
Test organisms (species):
other: Earthworm
Details on test organisms:
no further information
Study type:
other: QSAR model
Test type:
other: QSAR model
Water media type:
freshwater
Type of sediment:
not specified
Limit test:
no
Duration:
14 d
Exposure phase:
total exposure duration
Hardness:
not applicable to QSAR models
Test temperature:
not applicable to QSAR models
pH:
not applicable to QSAR models
Dissolved oxygen:
not applicable to QSAR models
Salinity:
not applicable to QSAR models
Ammonia:
not applicable to QSAR models
Details on test conditions:
CAS Number: 28348-53-0
SMILES : O([Na])S(=O)(=O)c1ccc(cc1)C(C)C
CHEM : Benzenesulfonic acid, (1-methylethyl)-, sodium salt
MOL FOR: C9 H11 O3 S1 Na1
MOL WT : 222.24
Wat Sol: 2.462E+004 (mg/L, EPISuite WSKowwin v1.43 Estimate)

Reference substance (positive control):
no
Duration:
14 d
Dose descriptor:
LC50
Effect conc.:
890.327 mg/kg sediment dw
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: QSAR model
Details on results:
LC50 (14-day, earthworm)= 890.327 mg/L (ppm)
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
LC50 (14-day, earthworm)= 890.327 mg/kg soil dw

Overview of QSARs estimations on sediment toxicity of  

  sodium cumenesulphonate/ Benzenesulfonic acid, (1-methylethyl)-, sodium salt

Method

 

Results

Remarks

Reference

QSAR

estimate

LC50 (14-day, earthworm)=  890.327 mg/L (ppm)

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

   

LC50 (14-day, earthworm)=    890.327 mg/L (ppm)

 

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for chemicals properties assessment.
Conclusions:
LC50 (14-day, earthworm)= 890.327 mg/L (ppm)
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
LC50 (14-day, earthworm)= 890.327 mg/kg soil dw
Executive summary:

The ECOSAR QSAR model predicts that 14 -day LC50 value would to be  890.327 (ppm) for freshwater sediment.

Description of key information

No sediment toxicity data are reported for sodium cumenesulphonate. Given the low potential for sodium cumenesulphonate reaching the sediment compartments (EQC modelling results), the lack of persistence (ready biodegradability under aerobic conditions) or bioaccumulation (BCFWIN modelling results), and the low likelihood of the chemical partitioning to soil and sediments (EQC modelling results), the lack of ecotoxicity data is not considered a deficiency.

The ECOSAR QSAR model predicts that 14 -dayLC50 value would to be 890.327 (ppm) for freshwater sediment.

Key value for chemical safety assessment

EC50 or LC50 for freshwater sediment:
890.327 mg/kg sediment dw
EC50 or LC50 for marine water sediment:
89.033 mg/kg sediment dw
EC10, LC10 or NOEC for freshwater sediment:
178.07 mg/kg sediment dw
EC10, LC10 or NOEC for marine water sediment:
17.8 mg/kg sediment dw

Additional information

The available data for marine water sediment are limited and to obtaine the value for PNECs for saltwaters is taken account a assesment factor 10 to extrapolate to LC50 following the “Guidance on Information Requirement and Chemical Safety Assessment R.10: Characterisation of dose [concentration]- response for environment”and “Table R.10-5 Assessment factors proposed for deriving PNEC water for saltwater for different data sets”, to account for the possibility that greater taxonomic diversity in the marine environment makes it likely that some marine taxa may be more sensitive than the most sensitive freshwater taxa.