Sodium 2-(2-dodecyloxyethoxy)ethyl sulphate

Toxicity to reproduction

Administrative data

Endpoint:

two-generation reproductive toxicity

Remarks:

based on test type (migrated information)

Type of information:

migrated information: read-across based on grouping of substances (category approach)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Data source

Reference

Reference Type:

other: Predicted data

Title:

[R]: 907 mg/kg bw/day (actual dose received); Estimation for NOAEL fertility, NOAEL Growth and Development, NOAEL parental toxicity, NOAEL Reproduction, NOAEL Toxicity for CAS 3088-31-1

Author:

Sustainability Support Service (Europe) AB

Year:

2013

Bibliographic source:

SSS QSAR Team, QSAR Toolbox version 3.1

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.1

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Sodium 2-(2-dodecyloxyethoxy)ethyl sulphate

EC Number:

221-416-0

EC Name:

Sodium 2-(2-dodecyloxyethoxy)ethyl sulphate

Cas Number:

3088-31-1

Molecular formula:

C16H34O6S.Na

IUPAC Name:

sodium 2-(2-dodecyloxyethoxy)ethyl sulphate

Details on test material:

- Name of test material : Sodium Lauryl Sulphate (sodium dodecyl sulphate)
- Molecular formula :NaC12H25SO4
- Molecular weight : 288.372
- Substance type: Organic
- Physical state : Solid
SMILES:C(CCCCCCCCCCC)OCCOCCOS(=O)(=O)O{-}.[Na]{+}

Test animals

Species:

rat

Strain:

other: CD

Sex:

male/female

Administration / exposure

Route of administration:

oral: gavage

Vehicle:

CMC (carboxymethyl cellulose)

Duration of treatment / exposure:

10 days

Frequency of treatment:

Once daily

No. of animals per sex per dose:

26 animals/sex/dose

Control animals:

yes, concurrent vehicle

Results and discussion

Results: P0 (first parental generation)

Effect levels (P0)

Dose descriptor:

NOAEL

Effect level:

907 mg/kg bw/day (actual dose received)

Based on:

test mat.

Sex:

male/female

Basis for effect level:

other: No effects observed at higher dose

Remarks on result:

other: Other details are not available

Results: F1 generation

Effect levels (F1)

Remarks on result:

other: F1 generation details not predicted

Overall reproductive toxicity

Reproductive effects observed:

not specified

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "NOAEL Reproduction","NOAEL Growth and Development","NOAEL Toxicity","NOAEL fertility","NOAEL parental toxicity"
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((("a" or "b" or "c" or "d" or "e" or "f" or "g" )  and ("h" and ( not "i") )  )  and "j" )  and "k" )  and ("l" and "m" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anionic Surfactants AND Nonionic Surfactants by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alkoxy AND Ether AND Sulfate by Organic functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alkoxy AND Ether AND Overlapping groups AND Sulfate by Organic functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Oxygen, aliphatic attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfate, linear [-O-SO2-O-] AND Sulfinic acid [-S(=O)OH] AND Sulfite, linear [-OS(=O)O-] AND Sulfonic [SO2(-OH)-O] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 16 - Oxygen O AND Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Dialkylether AND Ether AND Sulfuric acid derivative AND Sulfuric acid monoester by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Miscellaneous sulfide (=S) or oxide (=O) AND Oxygen, aliphatic attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfate, linear [-O-SO2-O-] AND Sulfite, linear [-OS(=O)O-] by Organic functional groups (US EPA)

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Carbamates OR Acylation >> Direct acylation involving a leaving group >> N-acylamides OR Acylation >> Direct acylation involving a leaving group >> N-acylated heteroaromatic amines OR Acylation >> Direct acylation involving a leaving group >> N-acylsulphonamides OR Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides OR Acylation >> Ester aminolysis >> Dithiocarbamates OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated alkyl or aryl esters OR Acylation >> Ester aminolysis or thiolysis >> Diarylesters OR Acylation >> Ring opening acylation OR Acylation >> Ring opening acylation >> Active cyclic agents OR Michael addition OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-carbonyl compounds with polarized double bonds OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> Vinyl sulfonyl compounds OR Michael addition >> Michael type addition on vinyl pirydines and activated ethenylarenes OR Michael addition >> Michael type addition on vinyl pirydines and activated ethenylarenes >> Activated electrophilic ethenylarenes OR Michael addition >> Quinone type compounds OR Michael addition >> Quinone type compounds >> Naphtoquinone and naphtoquinone imines OR Michael addition >> Quinone type compounds >> Quinone (di)imines OR Michael addition >> Quinone type compounds >> Quinone methide imines OR Michael addition >> Quinone type compounds >> Quinone methides OR Nucleophilic addition OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond >> Thiocyanates OR Nucleophilic addition >> Nucleophilic addition at polarized N-functional double bond OR Nucleophilic addition >> Nucleophilic addition at polarized N-functional double bond >> C-Nitroso compounds OR Schiff base formation OR Schiff base formation >> Nucleophilic cycloaddition to diketones OR Schiff base formation >> Nucleophilic cycloaddition to diketones >> Diketones OR Schiff base formation >> Pyrazolones and pyrazolidinones derivatives OR Schiff base formation >> Pyrazolones and pyrazolidinones derivatives >> Pyrazolones and pyrazolidinones OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SN1 OR SN1 >> Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations OR SN1 >> Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations >> Mercury compounds OR SN2 OR SN2 >> Interchange reaction with sulphur containing compounds OR SN2 >> Interchange reaction with sulphur containing compounds >> Thiols and disulfide compounds OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Activated alkyl esters OR SN2 >> Nucleophilic substitution at sulfur atom OR SN2 >> Nucleophilic substitution at sulfur atom >> Thiosulfate compounds OR SN2 >> Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >> Isothiazolones derivatives OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated halogens OR SNAr >> Nucleophilic aromatic substitution on activated halogens >> Activated haloarenes by Protein binding by OASIS v1.1

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives

Domain logical expression index: "k"

Similarity boundary:Target: C(CCCCCCCCCCC)OCCOCCOS(=O)(=O)O{-}.[Na]{+}
Threshold=10%,
Dice(Atom centered fragments)

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.69

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.37

Applicant's summary and conclusion

Conclusions:

The No Observed Adverse Effect Level (NOAEL) of sodium 2-(2-dodecyloxyethoxy)ethyl sulphate in CD Rats was observed at dose concentration of 907 mg/kg bw/day (actual dose received)

Executive summary:

The No Observed Adverse Effect Level (NOAEL) of sodium 2-(2-dodecyloxyethoxy)ethyl sulphate in CD Rats was observed at dose concentration of 907 mg/kg bw/day (actual dose received).

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