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Toxicity to aquatic algae and cyanobacteria

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Endpoint:
toxicity to aquatic algae and cyanobacteria
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:
ECOSAR Program(v1.00)
GLP compliance:
no
Analytical monitoring:
no
Vehicle:
no
Test organisms (species):
other: Green Algae
Details on test organisms:
QSAR model-Green Algae
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
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: 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:
96 h
Dose descriptor:
EC50
Effect conc.:
10 603.549 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
not specified
Duration:
30 d
Dose descriptor:
NOEC
Effect conc.:
1 954.058 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
not specified
Remarks on result:
other: NOEC cited as a ChV value
Details on results:
Green Algae, 96-hr EC50 =10603.549 mg/L (ppm)
Green Algae, 30-day, NOEC cited as a ChV value = 1954.058 mg/L(ppm)

Overview of QSARs estimations on aquatic toxicity of 

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

to Green algae

 

Method

 

Results

Remarks

Reference

QSAR

estimate

Green Algae, 96-hr EC50 =10603.549 mg/L (ppm)

Green Algae, 30-day, NOEC cited as a ChV value =  1954.058 mg/L(ppm)

 

Reliable with restrictions,

QSAR estimated data

ECOSAR Program (v1.00)

Green Algae, 96-hr EC50 =10603.549 mg/L (ppm)

Green Algae, 30-day, NOEC cited as a ChV value =  1954.058 mg/L(ppm)

Validity criteria fulfilled:
yes
Remarks:
method for chemicals properties assessment.
Conclusions:
Green Algae, 96-hr EC50 =10603.549 mg/L (ppm)
Green Algae, 30-day, NOEC cited as a ChV value =  1954.058 mg/L(ppm)
Executive summary:

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

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

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
other: published data
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
according to guideline
Guideline:
EPA OTS 797.1050 (Algal Toxicity, Tiers I and II)
GLP compliance:
no
Specific details on test material used for the study:
CAS Number: 1300-72-7
Identity: Xylene sulfonic acid, sodium salt
Purity: 40.77%
Remarks: Substances tested are aqueous solutions; % purity equates to chemical content
Analytical monitoring:
no
Vehicle:
no
Test organisms (species):
Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum)
Details on test organisms:
Green algae (Selenastrum capricornutum).
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Test temperature:
24 ± 1 °C
pH:
pH at 0 hour: 7.5-7.6 and at 96 hours: 9.6-10; temperature 24-25 °C.
Nominal and measured concentrations:
Concentrations: Nominal: 16, 31, 63, 130, 250, 500 and 1000 mg/L (no vehicle); untreated controls. Nominal concentrations have not been corrected for sample purity.
Details on test conditions:
Test conditions: 125 mL flasks containing 50 mL of algal medium;
temperature: 24 ± 1 °C; continuous illumination (3800-4600 lux); shaken (100 rpm).
Physical measurements: pH at 0 hour: 7.5-7.6 and at 96 hours: 9.6-10;temperature 24-25 °C.
Observations: Cell density at 0, 24, 48, 72 and 96 hours with a haemacytometer.
Reference substance (positive control):
no
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
230 mg/L
Nominal / measured:
nominal
Conc. based on:
act. ingr.
Basis for effect:
growth rate
Remarks on result:
other: (95% CI 47-1200 mg/L)
Duration:
96 h
Dose descriptor:
NOEC
Effect conc.:
31 mg/L
Nominal / measured:
nominal
Conc. based on:
act. ingr.
Basis for effect:
growth rate
Details on results:
A 96 h EC50 of 230 mg/L has been determined for the effects of the test substance on growth rate of the Green algae (Selenastrum capricornutum).
Endpoint: Inhibition of cell growth

            

Validity criteria fulfilled:
yes
Conclusions:
A 96 h EC50 of 230 mg/L has been determined for the effects of the test substance on growth rate of the Green algae (Selenastrum capricornutum).
Executive summary:

A 96 h EC50 of 230 mg/L has been determined for the effects of the test substance on growth rate of the Green algae (Selenastrum capricornutum).

96-hour EC50 = 230 mg/L (95% CI 47-1200 mg/L)

96-hour NOEC = 31 mg/L

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
experimental study
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
Qualifier:
according to guideline
Guideline:
other: Algae growth inhibition test according to UBA (1984)
Principles of method if other than guideline:
Algae growth inhibition test according to UBA (1984)
GLP compliance:
no
Specific details on test material used for the study:
Test Substance
CAS Number: 28348-53-0
Identity: Cumene sulfonic acid, sodium salt
Purity: not indicated
Analytical monitoring:
not specified
Vehicle:
no
Test organisms (species):
Scenedesmus sp.
Details on test organisms:
Species: Scenedesmus subspicatus
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
72 h
Test temperature:
24 ± 1 °C
pH:
7.08-9.0
Nominal and measured concentrations:
Concentrations: Nominal: 35, 70, 120, 200, 360, 600,and 1000 mg/L (no vehicle)
Reference substance (positive control):
no
Duration:
72 h
Dose descriptor:
EC50
Effect conc.:
> 1 000 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth rate
Details on results:
A 72 h EC50 >1000 mg/L has been determined for the effects of the test substance on growth rate of the Scenedesmus subspicatus
Validity criteria fulfilled:
yes
Conclusions:
The substance is not toxic to algae under the condition of the test.
A 72 h EC50 >1000 mg/L has been determined for the effects of the test substance on growth rate of the Scenedesmus subspicatus
Executive summary:

The substance is not toxic to algae under the condition of the test.

A 72 h EC50 >1000 mg/L has been determined for the effects of the test substance on growth rate of the Scenedesmus subspicatus

Description of key information

A 96 h EC50 of 230 mg/L and 96-hour NOEC of 31 mg/L has been determined for the effects of the test substance on growth rate of the Green algae (Selenastrum capricornutum).

Based on the acute data, using the lowest EC50 (230 mg/L) and dividing by an application factor of 1000 (TGD, 2003), the PNEC is 0.23 mg/L. The limited available chronic data support this PNEC. Taking the lowest algal NOEC (31 mg/L) and dividing by an application factor of 50 (TGD, 2003) gives a PNEC of 0.62 mg/L.

Conclusion: PNEC in water = 0.23 mg/L

Key value for chemical safety assessment

EC50 for freshwater algae:
230 mg/L
EC50 for marine water algae:
23 mg/L
EC10 or NOEC for freshwater algae:
31 mg/L
EC10 or NOEC for marine water algae:
3.1 mg/L

Additional information

The available data for saltwater algae and cyanobacteria 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