Basic information
- CAS
13273-85-3- Standard SMILES
CC(C)CCC1(C)OCC(C)(C)CO1- InChIKey
KJWBXOPQYZIDPU-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 2,5,5-Trimethyl-2-(3-methylbutyl)-1,3-dioxane
- IUPAC
- 2,5,5-trimethyl-2-(3-methylbutyl)-1,3-dioxane
- English name
- 2,5,5-trimethyl-2-(3-methylbutyl)-1,3-dioxane
- Molecular formula
- C12H24O2
- Molecular weight
- 200.31776
Names & synonyms
2,5,5-Trimethyl-2-(3-methylbutyl)-1,3-dioxane13273-85-3EINECS 236-270-3LBE4PA6JBDDTXSID501577351,3-Dioxane, 2,5,5-trimethyl-2-(3-methylbutyl)-RefChem:82655DTXCID2080226236-270-3UNII-LBE4PA6JBDKJWBXOPQYZIDPU-UHFFFAOYSA-NNS00052585
Database identifiers
- CAS
13273-85-3- PubChem CID
- 83288
- DTXSID
DTXSID50157735- UNII
- LBE4PA6JBD
- EC Number
- 236-270-3
- Nikkaji
- J213.798D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- FDA UNII
- 4 PA6JBD · LBE4PA6JBD
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 InformationChemical: 1,3-Dioxane, 2,5,5-trimethyl-2-(3-methylbutyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…