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Diss Factsheets

Ecotoxicological information

Toxicity to terrestrial plants

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Administrative data

Link to relevant study record(s)

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Endpoint:
toxicity to terrestrial plants: 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
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
Species:
other: Terrestrial plants,QSAR model
Plant group:
other: QSAR model
Details on test organisms:
no further information
Test type:
other: QSAR
Study type:
other: QSAR
Substrate type:
other: QSAR
Limit test:
no
Total exposure duration:
30 d
Test temperature:
not applicable. QSAR model
pH:
not applicable. QSAR model
Moisture:
not applicable. QSAR model
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
Species:
other: Terrestrial plants,QSAR model
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
10 603.549 mg/kg soil dw
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
not specified
Remarks on result:
other: 1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
Species:
other: Terrestrial plants,QSAR model
Duration:
30 d
Dose descriptor:
NOEC
Effect conc.:
1 954.058 mg/kg soil dw
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
not specified
Remarks on result:
other: cited as a ChV value, 1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
Details on results:
The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 1954.058 mg/L (ppm) for terrestrial plants.
The ECOSAR QSAR model predicts that 96-hr EC50 valuewould to be 10603.549 mg/L (ppm) for terrestrial plants.
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Overview of QSARs estimations on toxicity of 

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

to terrestrial plants 

Method

 

Results

Remarks

Reference

QSAR

estimate

Terrestrial plants ,96-hrEC50 = 10603.549 mg/L (ppm)

 Terrestrial plants, 30-day, ChV (chronic value) =1954.058 mg/L (ppm)

 

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

 

Terrestrial plants ,96-hrEC50 = 10603.549 mg/L (ppm)

 Terrestrial plants, 30-day, ChV (chronic value) =1954.058 mg/L (ppm)

1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.

Validity criteria fulfilled:
yes
Remarks:
US EPA accepted QSAR method for chemicals properties assessment.
Conclusions:
The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 1954.058 mg/L (ppm) for terrestrial plants.
The ECOSAR QSAR model predicts that 96-hr EC50 valuewould to be 10603.549 mg/L (ppm) for terrestrial plants.
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
Executive summary:

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be  1954.058  mg/L (ppm) for terrestrial plants.

The ECOSAR QSAR model predicts that 96-hr EC50 valuewould to be 10603.549 mg/L (ppm) for terrestrial plants.

1 kg of water has a volume of 1 L and the mg/kg and mg/L are  the same.

Endpoint:
toxicity to terrestrial plants: long-term
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because direct and indirect exposure of the soil compartment is unlikely
other:

Description of key information

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

The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be  1954.058  mg/L (ppm) for terrestrial plants.

The ECOSAR QSAR model predicts that 96-hr EC50 value would to be 10603.549 mg/L (ppm) for terrestrial plants.

1 kg of water has a volume of 1 L and the mg/kg and mg/L are  the same.

Key value for chemical safety assessment

Short-term EC50 or LC50 for terrestrial plants:
10 603.549 mg/kg soil dw
Long-term EC10, LC10 or NOEC for terrestrial plants:
1 954.058 mg/kg soil dw

Additional information