Sodium dodecylbenzenesulfonate

Long-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

long-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

Principles of method if other than guideline:

EPI Suite v 4.0/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable to QSAR models

Analytical monitoring:

not required

Vehicle:

not specified

Test organisms (species):

other: Daphnid species

Details on test organisms:

no further information

Test type:

other: QSAR model

Water media type:

freshwater

Limit test:

no

Total exposure duration:

30 d

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

Details on test conditions:

100% Benzenesulfonic acid, dodecyl-, sodium salt
SMILES : O([Na])S(=O)(=O)c1ccc(cc1)CCCCCCCCCCCC
CHEM : Benzenesulfonic acid, dodecyl-, sodium salt
CAS Num: 25155-30-0
MOL FOR: C18 H29 O3 S1 Na1
MOL WT : 348.48
Log Kow: 3.00 (KowWin estimate)
Wat Sol: 800 mg/L (experimental database)

Reference substance (positive control):

no

Duration:

30 d

Dose descriptor:

NOEC

Effect conc.:

3.159 mg/L

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

not specified

Remarks on result:

other: cited as a ChV value

Details on results:

Daphnid, 30-day,NOEC for freshwater species cited as ChV (chronic value) = 3.159 mg/L (ppm)

Overview of QSARs estimations on long-term aquatic toxicity of  

Sodium dodecylbenzenesulfonate/Benzenesulfonic acid, dodecyl-, sodium salt

to Daphnid     

Method	Results	Remarks	Reference
QSAR estimate	Daphnid, 30-day, ChV (chronic value) = 3.159 mg/L (ppm)   Daphnid , 48-hr LC50 =  23.265 mg/L (ppm)	Reliable with restrictions, QSAR estimated data	ECOSAR Program (v1.00)

ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 3.159 mg/l. 

 

Daphnid, 30-day, ChV (chronic value) = 3.159 mg/L (ppm)

 Daphnid , 48-hr LC50 =  23.265 mg/L (ppm)

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

Daphnid, 30-day,NOEC cited as ChV (chronic value) = 3.159 mg/L

Executive summary:

ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 3.159 mg/l. 

Reference 2

Endpoint:

long-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

Principles of method if other than guideline:

EPI Suite v 4.0/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable to QSAR models

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

other: Mysid shrimp

Details on test organisms:

Scientific name: Americamysis bahia
Common name: Opossum shrimp, Mysid shrimp, Mysids

Test type:

other: QSAR model

Water media type:

saltwater

Limit test:

no

Total exposure duration:

30 d

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

Details on test conditions:

-Name of test material (as cited in study report:Benzenesulfonic acid, dodecyl-, sodium salt
100% Benzenesulfonic acid, dodecyl-, sodium salt
SMILES : O([Na])S(=O)(=O)c1ccc(cc1)CCCCCCCCCCCC
CHEM : Benzenesulfonic acid, dodecyl-, sodium salt
CAS Num: 25155-30-0
MOL FOR: C18 H29 O3 S1 Na1
MOL WT : 348.48
Log Kow: 3.00 (KowWin estimate)
Wat Sol: 800 mg/L (experimental database)

Reference substance (positive control):

no

Duration:

30 d

Dose descriptor:

NOEC

Effect conc.:

1.121 mg/L

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

not specified

Remarks on result:

other: cited as a ChV value

Details on results:

Mysid Shrimp (SaltWater), 30-day,NOEC cited as ChV (chronic value) = 1.121 mg/L (ppm)

Overview of QSARs estimations on long-term aquatic toxicity of

Sodium dodecylbenzenesulfonate/Benzenesulfonic acid, dodecyl-, sodium salt

to Mysid shrimp

 

Method	Results	Remarks	Reference
QSAR estimate	Mysid Shrimp (SW), 30-day, ChV (chronic value) =  1.121 mg/L (ppm Mysid Shrimp, 96 -hr, LC50= 17.429 mg/L (ppm)	Reliable with restrictions, QSAR estimated data	ECOSAR Program (v1.00)

 

Mysid Shrimp (SW), 30-day, ChV (chronic value) =  1.121 mg/L (ppm

Mysid Shrimp, 96 -hr, LC50= 17.429 mg/L (ppm)

 

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

Mysid Shrimp (SW), 30-day, ChV (chronic value) =  1.121 mg/L (ppm
Mysid Shrimp, 96 -hr, LC50= 17.429 mg/L (ppm)

Executive summary:

Using the EPIWIN ECOSAR QSAR model, a 30-day NOEC cited as a ChV  (chronic value) for marine water (SW) aquatic invertebrates of 1.121 mg/L (ppm) was established.

Reference 3

Endpoint:

long-term toxicity to aquatic invertebrates

Type of information:

experimental study

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:

OECD Guideline 211 (Daphnia magna Reproduction Test)

GLP compliance:

not specified

Analytical monitoring:

not specified

Vehicle:

no

Test organisms (species):

Daphnia magna

Details on test organisms:

Daphnia magna; age of neonates was less than 24 h

Test type:

semi-static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

21 d

Hardness:

140-160 mg/L (as CaCO3)

Test temperature:

20 +/- 1 deg C

pH:

8.5 +/- 0.2

Details on test conditions:

Calculation of NOEC was performed using TOXSTAT software

Reference substance (positive control):

not specified

Duration:

21 d

Dose descriptor:

NOEC

Effect conc.:

1.65 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

reproduction

Details on results:

The 21-day NOEC for Daphnia magna was 1.65 mg/L

Validity criteria fulfilled:

yes

Conclusions:

The 21-day NOEC for Daphnia magna was 1.65 mg/L

Reference 4

Endpoint:

long-term toxicity to aquatic invertebrates

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:

other: ASTM

Principles of method if other than guideline:

ASTM proposed standard practice for conducting renewal life cycle toxicity tests with Daphnia magna. Draft No. 1, August 1982. Ten 250 m/L beakers were used for each test concentration. Seven beakers contained one daphnid each and three beakers contained five daphnids each, for a total of 22 daphnids per concentration. All conditions were maintained as per protocol.

GLP compliance:

no

Analytical monitoring:

no

Vehicle:

not specified

Test organisms (species):

Daphnia magna

Details on test organisms:

Daphnia magna (Crustacea)

Test type:

semi-static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

21 d

Test temperature:

Temperatures were maintained at 21 ± 3°C

Details on test conditions:

Ten 250 m/L beakers were used for each test concentration. Seven beakers contained one daphnid each and three beakers contained five daphnids each, for a total of 22 daphnids per concentration.

Reference substance (positive control):

not specified

Duration:

21 d

Dose descriptor:

LOEC

Effect conc.:

> 2.25 - < 3.75 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Duration:

21 d

Dose descriptor:

NOEC

Effect conc.:

> 1.25 - < 3.25 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: Geometric Mean NOEC = 1.99 mg/L (mean of studies using 5 different diets)

Duration:

21 d

Dose descriptor:

NOEC

Effect conc.:

1.99 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: The 21-day NOEC for Daphnia magna was 1.99 mg/L ( Geometric Mean NOEC )

Details on results:

NOEC and LOEC values represent the range of results from five tests using different diets. Diet had at most a three-fold effect on the results, which is within the variation expected within the tests themselves. Therefore, results of different diets can be considered roughly equivalent to five replications of the same diet.

Validity criteria fulfilled:

yes

Conclusions:

The 21-day NOEC for Daphnia magna was 1.99 mg/L ( Geometric Mean NOEC )

Executive summary:

The 21-day NOEC for Daphnia magna was 1.99 mg/L ( Geometric Mean NOEC )

Reference 5

Endpoint:

long-term toxicity to aquatic invertebrates

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:

no guideline followed

Principles of method if other than guideline:

Initial experiments (Phase I) were designed to determine the effects of LAS on the structure and function of model ecosystem communities. Each test concentration consisted of duplicate 19-L glass aquaria containing 2.5 cm of natural lake sediment and several trophic levels (bacteria, algae, macrophytes, macroinvertebrates, and bluegill sunfish). Dilution water was carbon and reverse-osmosis filtered well water. Four nominal concentrations were delivered to duplicate chambers by a modified Mount and Brungs proportional diluter. Fish were screened from access to invertebrates with a stainless steel screen. In Phase II, conditions were similar except that the model ecosystem aquaria were treated with LAS in sewage effluent (supplied from a CAS unit) to more closely simulate actual receiving water conditions.

GLP compliance:

no

Analytical monitoring:

yes

Details on sampling:

- Concentrations: all
- Sampling method: 100 ml water samples were treated with 10 ml HCl and boiled down to 25 ml. Samples were then extracted with 60 ml ethyl ether, and passed over Amberlyst 15 cation exchange resin.

Vehicle:

not specified

Test organisms (species):

other aquatic arthropod: Paratanytarsus parthenogenica

Details on test organisms:

Paratanytarsus parthenogenica (Insecta, Midge)
TEST ORGANISM
- Common name: midge
- Age of parental stock (mean and range, SD): eggs
- Food type: 1.5 ml daphnia food suspension
- Frequency: every replacement cycle

Test type:

flow-through

Water media type:

freshwater

Limit test:

no

Total exposure duration:

28 d

Post exposure observation period:

closed-system

Hardness:

120 mg/L as CaCO3 hardness

Test temperature:

Temperatures were maintained at 21 ± 2°C in both phases.

pH:

pH values were 8.1 ± 0.2 and 7.5 ± 0.3 for Phases I and II, respectively

Dissolved oxygen:

Dissolved oxygen concentrations ranged between 7.0 to 9.0 mg/L with a mean of 7.8 mg/L during the Phase I studies. In Phase II, dissolved oxygen ranged between 3.1 and 7.3 mg/L (mean 5.4 mg/L), with the lowest values occurring in the chambers receiving the highest sewage effluent concentrations.

Nominal and measured concentrations:

Four nominal concentrations of 0.5, 1.0, 2.0, and 4.0 mg/L

Details on test conditions:

TEST SYSTEM
- Test vessel: 19 L
- Type (delete if not applicable): open
- Material, size, headspace, fill volume: glass aquaria
- Type of flow-through (e.g. peristaltic or proportional diluter): proportional diluter
- Renewal rate of test solution (frequency/flow rate): 8 replacement per day
- No. of organisms per vessel: 25
- No. of vessels per concentration (replicates): 2
- No. of vessels per control (replicates): 2

TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: reverse osmosis filtered well water
- Intervals of water quality measurement: sampling was only done at day 28 to avoid disturbing the test populations

EFFECT PARAMETERS MEASURED (with observation intervals if applicable) : biomass, production, total population, and turnover ratio at day 28

Reference substance (positive control):

not specified

Duration:

28 d

Dose descriptor:

NOEC

Effect conc.:

3.4 mg/L

Nominal / measured:

nominal

Conc. based on:

other: from previous study

Basis for effect:

reproduction

Remarks:

and survival

Duration:

28 d

Dose descriptor:

NOEC

Effect conc.:

> 2 - < 4 mg/L

Nominal / measured:

nominal

Conc. based on:

other: from model ecosystem community study

Basis for effect:

reproduction

Remarks:

and survival

Duration:

28 d

Dose descriptor:

LOEC

Effect conc.:

4 mg/L

Nominal / measured:

nominal

Conc. based on:

act. ingr.

Basis for effect:

reproduction

Remarks:

and survival

Details on results:

No significant differences in the development and growth of midge populations were observed in Phase I. Apparent inhibition of total population size was observed at the highest concentration (4.0 mg/L), where total individuals were 4100 as compared to 6300 in the controls. The results indicate that the effect concentrations after 28 days were found to be between 2.0 and 4.0 mg/L.

Validity criteria fulfilled:

yes

Conclusions:

The 28-day LOEC for P. parthenogenica was 4 mg/L (nominal). The results indicate that the effect concentrations after 28 days were found to be between 2.0 and 4.0 mg/L. This agrees with a previous 28-day study (Maki 1978) that resulted in a NOEC of 3.4 mg/L.

Executive summary:

Dissolved oxygen concentrations ranged between 7.0 to 9.0 mg/L with amean of 7.8 mg/L during the Phase I studies. In Phase II, dissolved oxygenranged between 3.1 and 7.3 mg/L (mean 5.4 mg/L), with the lowest valuesoccurring in the chambers receiving the highest sewage effluentconcentrations. Tempertures were maintained at 21 ± 2°C in both phases.The pH values were 8.1 ± 0.2 and 7.5 ± 0.3 for Phases I and II, respectively.No significant differences in the development and growth of midgepopulations was observed in Phase I. Apparent inhibition of total populationsize was observed at the highest concentration (4.0 mg/L), where totalindividuals were 4100 as compared to 6300 in the controls.

 The resultsindicate that the effect concentrations after 28 days were found to be between2.0 and 4.0 mg/L. This agrees with a previous 28-day study (Maki 1978) thatresulted in a NOEC of 3.4 mg/L.

Reference 6

Endpoint:

long-term toxicity to aquatic invertebrates

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:

no guideline followed

Principles of method if other than guideline:

Chronic toxicity values were developed for Daphnia magna with six surfactants and a detergent builder, each selected on the basis of previously existing chronic fish test data.
Predictive correlations were examined for testing end points between 21-d Daphnia chronics and 1-yr fish chronics to provide a short-term alternative chronic test species while developing toxicity data for an intermediate trophic level species. For the detergent materials tested, a strong correlation (r0.98) exists between =  Daphnia and fish no-effect concentrations. A replacement term, NOEC (No observed effect concentration), is suggested to clarify interpretive ambiguities associated with the definition of the MATC (maximum acceptable toxicant concentration) value.

GLP compliance:

no

Analytical monitoring:

yes

Vehicle:

not specified

Test organisms (species):

Daphnia magna

Details on test organisms:

Daphnia magna (<12 h old)

Test type:

flow-through

Water media type:

freshwater

Limit test:

no

Total exposure duration:

21 d

Hardness:

120 mg/L as CaCO3 hardness

Test temperature:

Temperatures were maintained at 21 ± 1°C

pH:

pH values were 7.94 and 9.52

Dissolved oxygen:

8.5 +/- 9.5

Nominal and measured concentrations:

nominal concentrations : control, 0.15, 0.24, 0.4, 0.81, 1.45 mg/L

Details on test conditions:

- Dilution water: Hardness(as CaCO3) 120 mg/L, Temperature 23.6 +/- 0.1 deg C, pH 7.94–9.52, Dissolved oxygen 8.5 +/- 9.5- Five Daphnia magna (<12 h) are used in each of the four replicates.

Reference substance (positive control):

not specified

Duration:

21 d

Dose descriptor:

NOEC

Effect conc.:

1.18 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

reproduction

Details on results:

The result was calculated with a computerized probit analysis program (Finney 1964, 1971).The 21 d-NOEC for daphnia magna is 1.18 mg/L.

Validity criteria fulfilled:

yes

Conclusions:

The 21-dayLNOEC for Daphnia magna was 1.18 mg/L .

Reference 7

Endpoint:

long-term toxicity to aquatic invertebrates

Type of information:

experimental study

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:

equivalent or similar to guideline

Guideline:

EPA OTS 797.1330 (Daphnid Chronic Toxicity Test)

GLP compliance:

not specified

Analytical monitoring:

not specified

Vehicle:

no

Test organisms (species):

Ceriodaphnia dubia

Details on test organisms:

SPECIES #
(NAME): 2371 Ceriodaphnia dubia
(Water Flea)
AGE: NR
LIFE STAGE: not reported, unknown
COMMENT: NR

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

7 d

Hardness:

NR

Test temperature:

20 -21 deg C

pH:

7-8

Dissolved oxygen:

3.7 to 7.5mg/L

Reference substance (positive control):

not specified

Duration:

7 d

Dose descriptor:

NOEC

Effect conc.:

4 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Details on results:

The 7-day NOEC for Ceriodaphnia dubia was 4 mg/L

Validity criteria fulfilled:

yes

Conclusions:

The 7-day NOEC for Ceriodaphnia dubia was 4 mg/L

Description of key information

The 21-day NOEC for Daphnia magna was 1.65 mg/L (sodium dodecylbenzene sulfonate, nominal)and the 21-day NOEC for Daphnia magna was 1.18 mg/L (C11.8LAS, nominal).
ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 3.159 mg/l.  
ECOSAR QSAR model predicts that NOEC for marine water (SW) aquatic invertebrates cited as ChV (chronic value) would to be 1.121 mg/l.  

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

1.65 mg/L

Marine water invertebrates

Marine water invertebrates

Effect concentration:

1.121 mg/L

Additional information

The 21-day NOEC for Daphnia magna was 1.65 mg/L (sodium dodecylbenzene sulfonate, nominal)and the 21-day NOEC for Daphnia magna was 1.18 mg/L (C11.8LAS, nominal).

ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 3.159 mg/l.

ECOSAR QSAR model predicts that NOEC for marine water (SW) aquatic invertebrates cited as ChV (chronic value) would to be 1.121 mg/l.