Registration Dossier

Toxicological information

Skin irritation / corrosion

Currently viewing:

Administrative data

Endpoint:
skin irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for "Primary Irritation Index" read across evaluation for 628-89-7
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox version 2.3

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 2.3
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(2-chloroethoxy)ethanol
EC Number:
211-059-9
EC Name:
2-(2-chloroethoxy)ethanol
Cas Number:
628-89-7
Molecular formula:
C4H9ClO2
IUPAC Name:
2-(2-chloroethoxy)ethan-1-ol
Details on test material:
- Name of test material : 2-(2-chloroethoxy)ethanol
- Molecular formula : C4H9ClO2
- Substance type: Organic
- Physical state: Liquid

Test animals

Species:
rabbit

Test system

Type of coverage:
other: Open;no data
Controls:
not specified

Results and discussion

In vivo

Results
Irritation parameter:
primary dermal irritation index (PDII)
Basis:
mean
Score:
1.07
Reversibility:
no data
Remarks on result:
other: Slightly irritating

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

((("a" and "b" ) and ("c" and ( not "d") ) ) and ("e" and "f" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(Cl)COCCO
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(Cl)COCCO
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

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

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as alpha,beta-carbonyl compounds with polarized double bonds OR MA: Michael addition on conjugated systems with electron withdrawing group OR Mechanistic Domain: Michael addition by Protein binding by OASIS

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.908

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.568

Applicant's summary and conclusion

Interpretation of results:
slightly irritating
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
By primary dermal irritation index (PDII) from QSAR, skin irritation score of 2-(2-chloroethoxy)ethanol was estimated as 1.07.Based on this score 2-(2-chloroethoxy)ethanol was found to be slightly irritating to the rabbit skin
Executive summary:
</font>

By primary dermal irritation index (PDII) from QSAR, skin irritation score of 2-(2-chloroethoxy)ethanol was estimated as 1.07. Based on this score 2-(2-chloroethoxy)ethanol was found to be slightly irritating to the rabbit skin and thus we be considered for skin irritation in category 2.