Calcium dodecylbenzenesulphonate

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:

read-across from supporting substance (structural analogue or surrogate)

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

Justification for type of information:

Sodium dodecylbenzenesulfonate (CAS# 25155-30-0 , EC Number; 246-680-4 ) is a very close analogue of Calcium dodecylbenzenesulfonate (CAS No 26264-06-2, EC Number; 247-557-8) ) and read-across is valid.

Reason / purpose for cross-reference:

read-across source

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

Key result

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 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 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:

CAS Number: 26264-06-2
SMILES : CCCCCCCCCCCCc1ccc(S(=O)(=O)OOS(=O)(=O)c2ccc(CCCCCCCCCCCC)cc2)cc1
CHEM : Benzenesulfonic acid, dodecyl-, calcium salt
MOL FOR: C36 H58 O6 S2 Ca1
MOL WT : 691.06
Wat Sol: 0.006264 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Log Kow: 4.770
Remarks: Anionic surfactant – alkyl benzene sulfonates; effective alkyl chain length = C12

Reference substance (positive control):

no

Duration:

30 d

Dose descriptor:

NOEC

Effect conc.:

0.253 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) =0.253 mg/L (ppm)

Overview of QSARs estimations on long-term aquatic toxicity of  

 Calcium dodecylbenzenesulphonate/ Benzenesulfonic acid, dodecyl-, calcium salt

to Daphnid     

Method	Results	Remarks	Reference
QSAR estimate	Daphnid, 30-day, ChV (chronic value) = 0.253 mg/L (ppm)   Daphnid , 48-hr LC50 =  1,276 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 0.253 mg/l. 

 

Daphnid, 30-day, ChV (chronic value) = 0.253 mg/L (ppm)

 Daphnid , 48-hr LC50 =  1.276 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) = 0.253 mg/L

Executive summary:

ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 0.253 mg/l. 

Description of key information

The 21-day NOEC for Daphnia magna was 1.65 mg/L (sodium dodecylbenzene sulfonate, nominal).
ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 0.253 mg/l.  
The 7-day NOEC for Ceriodaphnia dubia was 4 mg/L(sodium dodecylbenzene sulfonate)
The 21-day NOEC for Daphnia magna was 1.18 mg/L(Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts) .
The available data for saltwater invertebrates a are limited and to obtaine the value for PNECs for saltwaters is taken account a assesment factor 10 to extrapolate to NOEC 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 

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:

0.165 mg/L

Additional information

The 21-day NOEC for Daphnia magna was 1.65 mg/L (sodium dodecylbenzene sulfonate, nominal).

ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 0.253 mg/l. 

The 7-day NOEC for Ceriodaphnia dubia was 4 mg/L(sodium dodecylbenzene sulfonate)

The 21-day NOEC for Daphnia magna was 1.18 mg/L(Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts) .

The available data for saltwater invertebrates a are limited and to obtaine the value for PNECs for saltwaters is taken account a assesment factor 10 to extrapolate to NOEC 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