Basic information
- CAS
2244-85-1- Standard SMILES
CCCCCCC1CCOCO1- InChIKey
MNIXGQSLDFHHHN-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 1,3-Dioxane, 4-hexyl-
- IUPAC
- 4-hexyl-1,3-dioxane
- English name
- 4-hexyl-1,3-dioxane
- Molecular formula
- C10H20O2
- Molecular weight
- 172.2646
Names & synonyms
4-Hexyl-1,3-dioxane1,3-Dioxane, 4-hexyl-EINECS 218-830-9DTXSID20883817RefChem:72777DTXCID501023303218-830-92244-85-1DRC3VD7W82SCHEMBL11600351MNIXGQSLDFHHHN-UHFFFAOYSA-NNS00049253
Database identifiers
- CAS
2244-85-1- PubChem CID
- 102774
- DTXSID
DTXSID20883817- UNII
- DRC3VD7W82
- EC Number
- 218-830-9
- Nikkaji
- J213.136F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- LogP
- 2.832 · 2.832 (est)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 4-hexyl- (2244-85-1)
- TSCA
- TSCA listed
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, 4-hexyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 4-hexyl-: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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