Sodium cumenesulphonate

Sediment toxicity

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.