Registration Dossier

Administrative data

Endpoint:
in vivo mammalian somatic cell study: cytogenicity / erythrocyte micronucleus
Type of information:
(Q)SAR
Justification for type of information:
1. SOFTWARE
OECD [Q]SAR Toolbox

2. MODEL (incl. version number)
QSAR Toolbox 3.4.0.17
Database version: 3.8.8/3.1.2

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 112-31-2
SMILES: CCCCCCCCCC=O

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please see the attached OECD [Q]SAR Toolbox report.

5. APPLICABILITY DOMAIN
The prediction is based on 14 neighbours' values, 13 of them equal to prediction.
Prediction confidence is measured by the p-value = 1.42E-33 (very strong confidence)

6. ADEQUACY OF THE RESULT
Negative for the induction of micronuclei in rat and mouse.

Data source

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
Decanal
EC Number:
203-957-4
EC Name:
Decanal
Cas Number:
112-31-2
Molecular formula:
C10H20O
IUPAC Name:
decanal

Results and discussion

Applicant's summary and conclusion