Registration Dossier
Registration Dossier
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EC number: 807-422-1 | CAS number: 66918-01-2
Explosiveness
Administrative data
- Endpoint:
- explosiveness
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- April 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: In the REACH guidance on QSARs R.6, Mai 2008, the explosiveness can be estimated by QSAR if the absence of certain structural alerts are relevant.
- Justification for type of information:
- From structural formula of the test item it can be concluded that the substance has no explosive potential. The substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Oxygen balance calculation (QSAR)
- Deviations:
- not applicable
- Principles of method if other than guideline:
- QSAR based on oxygen balance calculation
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,4-bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 2-hydroxybutanedioate
- EC Number:
- 807-422-1
- Cas Number:
- 66918-01-2
- Molecular formula:
- C40H78O5
- IUPAC Name:
- 1,4-bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 2-hydroxybutanedioate
Constituent 1
Results and discussion
Small-scale preliminary testsopen allclose all
- Parameter:
- other: More sensitive to shock than m-dinitrobenzene
- Remarks:
- migrated information
- Remarks on result:
- not measured/tested
- Parameter:
- other: More sensitive to friction than m-dinitrobenzene
- Remarks:
- migrated information
- Remarks on result:
- not measured/tested
- Parameter:
- other: Explosive under influence of flame
- Remarks:
- migrated information
- Remarks on result:
- not measured/tested
- Parameter:
- other: Explosive (not specified)
- Remarks:
- migrated information
- Remarks on result:
- negative (not further specified)
- Remarks:
- Explosivity potential determined by QSAR
Any other information on results incl. tables
Bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] malate is not potentially explosive based on positive oxygen balance. The Oxygen Balance (%) = -285.42 (obtained by calculation).
Applicant's summary and conclusion
- Interpretation of results:
- non explosive
- Conclusions:
- Bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] malate has no structural alerts for explosivity therefore it is concluded that the test item is not potentially explosive. Based on the oxygen balance value, Bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] malate is not deemed to be potentially explosive.
- Executive summary:
Bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] malate has no structural alerts for explosivity therefore it is concluded that the test item is not potentially explosive.
Based on the oxygen balance value, Bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] malate is not deemed to be potentially explosive.
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