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Toxicological information

Acute Toxicity: oral

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Administrative data

Endpoint:
acute toxicity: oral
Remarks:
: QSAR profiling of acute oral toxicity
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Justification for type of information:
1. SOFTWARE
OECD QSAR Toolbox: a Quantitative Structure-Activity Relationship model that was developed by the Laboratory of Mathematical Chemistry, Burgas, Bulgaria (http://toolbox.oasis-lmc.org).

2. MODEL (incl. version number)
OECD QSAR Toolbox version 4.2

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See description of profilers in the attached documents.

5. APPLICABILITY DOMAIN
Profilers with relevance for acute oral toxicity were selected.

6. ADEQUACY OF THE RESULT
The results may be used in a weight-of-evidence approach together with other information to reach a conclusion regarding the acute oral toxicity of the test substance.

Data source

Reference
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs
Deviations:
not applicable
Principles of method if other than guideline:
The OECD QSAR Toolbox v4.2 is a Quantitative Structure-Activity Relationship model that was developed by the Laboratory of Mathematical Chemistry, Burgas, Bulgaria (http://toolbox.oasis-lmc.org).
GLP compliance:
no
Test type:
other: QSAR profiling

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium 2-butoxyethyl sulphate
EC Number:
266-840-7
EC Name:
Sodium 2-butoxyethyl sulphate
Cas Number:
67656-24-0
Molecular formula:
C6H14O5S.Na
IUPAC Name:
sodium 2-butoxyethyl sulphate

Results and discussion

Effect levels
Key result
Dose descriptor:
other: Toxic hazard classification by Cramer
Remarks on result:
other: Low toxicity
Remarks:
Class I

Applicant's summary and conclusion

Interpretation of results:
other: low acute oral toxicity
Conclusions:
The acute oral toxicity potential of 2-butoxyethyl sulphate was evaluated using OECD QSAR Toolbox v4.2. Profilers on toxic hazard classification by Cramer indicated low acute toxicity (Class I). Based on the QSAR profiling no acute oral toxicity is expected for 2-butoxyethyl hydrogen sulphate.