Basic information
- CAS
112576-46-2- Standard SMILES
CCOC(C)(C)CCCC(C)CC- InChIKey
KGVPDQAYYZRUIJ-UHFFFAOYSA-N- Molecular formula
- C12H26O
- Average molar mass
- 186.33 g/mol
- Monoisotopic mass
- 186.19836545
Names & identifiers
- Preferred name
- Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
- IUPAC
- 2-ethoxy-2,6-dimethyloctane
Names & synonyms
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-112576-46-2RefChem:855942SCHEMBL11761457KGVPDQAYYZRUIJ-UHFFFAOYSA-N
Database identifiers
- CAS
112576-46-2- PubChem CID
- 86129
- Nikkaji
- J3.761.133F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 118
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctane, 2-(or 6)-ethoxy-2,6-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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