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Description of key information

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation: in vivo (LLNA)
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
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
Type of study:
mouse local lymph node assay (LLNA)
Species:
mouse
Strain:
not specified
Sex:
not specified
Route:
other: no data
Vehicle:
no data
Route:
other: no data
Vehicle:
no data
Positive control substance(s):
not specified
Vehicle:
not specified
Parameter:
other: Migrated information from in vivo LLNA study
Remarks on result:
other: Reading: 1st reading. Group: test group. Dose level: details not available. Clinical observations: sensitizing to skin.
Parameter:
SI
Remarks on result:
other: EC3 percentage = 11.8 % (sensitizing)
Parameter:
other: disintegrations per minute (DPM)
Remarks on result:
other: EC3=positive





The prediction was based on dataset comprised from the following descriptors: EC3
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" )  and ("g" and ( not "h") )  )  and ("i" and "j" )  )

Domain logical expression index: "a"

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

Domain logical expression index: "b"

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

Domain logical expression index: "c"

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: "d"

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

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 Alkali Earth by Groups of elements

Domain logical expression index: "g"

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: "h"

Referential boundary: The target chemical should be classified as Group 15 - Nitrogen N OR Group 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.104

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.69

Interpretation of results:
sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
In vivo LLNA study on mouse for skin sensitisation with sodium 2-(2-dodecyloxyethoxy) ethyl sulphate showed EC3 percentage of 11.8% this predicted value of percentage indicates that the test substance was found to be sensitizing to skin of mouse.
Executive summary:

In vivo LLNA study on mouse for skin sensitisation with sodium 2-(2-dodecyloxyethoxy) ethyl sulphate showed EC3 percentage of 11.8% this predicted value of percentage indicates that the test substance was found to be sensitizing to skin of mouse.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (sensitising)
Additional information:

Skin sensatization:-

Based on studies of target substance CAS NO 3088-31-1 and read across reviewed for skin sensitization from reliable sources having Klimisch rating 2 and 4considering the weight of evidence approach.

 The summary of the results are presented below

Sr. No

End point

effect

Species

Remark

1

Skin sensitization

sensitizing

Mouse

Predicted data of target chemical

 

2

Skin sensitization

sensitizing

guinea pig

Data is from publication for CAS NO 151-21-3

3

Skin sensitization

sensitizing

guinea pig

Data is from publication for CAS NO 151-21-3

4

Skin sensitization

sensitizing

Humans

Data is from publication for CAS NO 151-21-3

 

Based on results summarized in above table for the target chemical CAS NO 3088-31-1 and read across, it can be concluded that the substance is sensitizing to the skin of human and guinea pig.Thus Sodium 2-(2-dodecyloxyethoxy) ethyl sulphate is considered to be sensitizing to skin as per the criteria of CLP regulation and will be classified as skin sen. category 1.


Migrated from Short description of key information:
Test substance sodium 2-(2-dodecyloxyethoxy) ethyl sulphate was found to be sensitizing to mouse and human skin.

Justification for selection of skin sensitisation endpoint:
In vivo LLNA study on mouse for skin sensitisation with sodium 2-(2-dodecyloxyethoxy) ethyl sulphate showed EC3 percentage of 11.8% this predicted value of percentage indicates that the test substance was found to be sensitizing to skin of mouse.

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

The test substance sodium 2-(2-dodecyloxyethoxy) ethyl sulphate is considered as sensitising for the purpose of classification.