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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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 27375-52-6
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:
OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide
EC Number:
248-433-6
EC Name:
N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide
Cas Number:
27375-52-6
Molecular formula:
C10H13NO4S
IUPAC Name:
N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide
Details on test material:
- Name of test material (as cited in study report): N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide
- Substance type: Organic
- Physical state: Solid

Test animals

Species:
human

Test system

Type of coverage:
other: semiocclusive and occlusive
Preparation of test site:
not specified
Vehicle:
not specified
Controls:
not specified

Results and discussion

In vivo

Results
Irritation parameter:
primary dermal irritation index (PDII)
Basis:
mean
Score:
0.926
Reversibility:
no data
Remarks on result:
other: not irritating to the skin of human

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 "d" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(S(=O)(=O)CCO)ccc(NC(C)=O)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: c1(S(=O)(=O)CCO)ccc(NC(C)=O)cc1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.54

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.735

Applicant's summary and conclusion

Interpretation of results:
not irritating
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
By primary dermal irritation index (PDII) from QSAR , skin irritation score of N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide estimated as 0.926 based on this score it is indicated that N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide is not irritating to the skin of human.
Executive summary:

By primary dermal irritation index (PDII) from QSAR , skin irritation score of N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide estimated as 0.926 based on this score it is indicated that N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide is not irritating to the skin of human.