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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation, other
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

Data source

Reference
Title:
OECD QSAR Toolbox
Year:
2017
Bibliographic source:
http://www.qsartoolbox.org
Report date:
2017

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Protein binding alerts for skin sensitisation by OASIS (www.qsartoolbox.org)
GLP compliance:
no
Type of study:
other: QSAR
Justification for non-LLNA method:
Skin sensitisation is predicted by a validated QSAR model.

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[2-(dimethylamino)ethoxy]ethanol
EC Number:
216-940-1
EC Name:
2-[2-(dimethylamino)ethoxy]ethanol
Cas Number:
1704-62-7
Molecular formula:
C6H15NO2
IUPAC Name:
2-[2-(dimethylamino)ethoxy]ethanol
Test material form:
not specified
Details on test material:
- Name of test material (as cited in study report): DMEE
- Physical state: clear colorless liquid
- Analytical purity: 98.66%
- Purity test date: no data
- Expiration date of the lot/batch: 21 March 2016
- Stability under test conditions: stable
- Storage condition of test material: room temperature in the dark
Specific details on test material used for the study:
SMILES: CN(C)CCOCCO

Results and discussion

In vitro / in chemico

Results
Key result
Parameter:
other: negative
Remarks on result:
other: QSAR predicted value

Any other information on results incl. tables

OECD toolbox predicted that 2 -(2 -(dimethylamino)-ethoxy)ethanol CAS 1704 -62 -7 is not skin sensitising.

Applicant's summary and conclusion

Interpretation of results:
other: not skin sensitising