Basic information
- CAS
13273-90-0- Standard SMILES
CCCCCCC1OCC(C)(C)CO1- InChIKey
VWWWESAUUDUBMA-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 2-Hexyl-5,5-dimethyl-1,3-dioxane
- IUPAC
- 2-hexyl-5,5-dimethyl-1,3-dioxane
- English name
- 2-hexyl-5,5-dimethyl-1,3-dioxane
- Molecular formula
- C12H24O2
- Molecular weight
- 200.31776
Names & synonyms
2-Hexyl-5,5-dimethyl-1,3-dioxane13273-90-01,3-Dioxane, 2-hexyl-5,5-dimethyl-AI3-31932EINECS 236-271-9DTXSID10157736NSC 40970RefChem:87304DTXCID7080227236-271-9K8585Q3D5LNSC-40970
Show more names
NSC40970UNII-K8585Q3D5LVWWWESAUUDUBMA-UHFFFAOYSA-N5,5-Dimethyl-2-hexyl-1,3-dioxaneNS00024234
Database identifiers
- CAS
13273-90-0- PubChem CID
- 83289
- DTXSID
DTXSID10157736- UNII
- K8585Q3D5L
- EC Number
- 236-271-9
- Nikkaji
- J213.799B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- FDA UNII
- 8585 Q3D5L · K8585Q3D5L
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-hexyl-5,5-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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