Basic information
- CAS
13273-84-2- Standard SMILES
CCCCCC1(C)OCC(C)(C)CO1- InChIKey
KZEIODCBVDXZSW-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-pentyl-1,3-dioxane
- IUPAC
- 2,5,5-trimethyl-2-pentyl-1,3-dioxane
- English name
- 2,5,5-trimethyl-2-pentyl-1,3-dioxane
- Molecular formula
- C12H24O2
- Molecular weight
- 200.31776
Names & synonyms
2,5,5-Trimethyl-2-pentyl-1,3-dioxane13273-84-21,3-Dioxane, 2,5,5-trimethyl-2-pentyl-0RS49U0NS5m-Dioxane, 2,5,5-trimethyl-2-pentyl-EINECS 236-269-8NSC 46279NSC-46279NSC-50314UNII-0RS49U0NS5DTXSID6065391Methyl-n-amylketone-, 2,2-dimethyl-1,3-propanediol ketal
Show more names
2,5,5-Trimethyl-2-pentyl-m-dioxane
RefChem:82656DTXCID9034109236-269-8Methyl-n-amylketone-,2-dimethyl-1,3-propanediol ketalm-Dioxane,5,5-trimethyl-2-pentyl-NSC46279SCHEMBL14321457KZEIODCBVDXZSW-UHFFFAOYSA-N
Database identifiers
- CAS
13273-84-2- PubChem CID
- 83287
- DTXSID
DTXSID6065391- UNII
- 0RS49U0NS5
- EC Number
- 236-269-8
- Nikkaji
- J213.797F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 215.4 · 215.4±8.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
- FDA UNII
- 0 RS49U0NS5 · 0RS49U0NS5
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2,5,5-trimethyl-2-pentyl- (13273-84-2)
- 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: m-Dioxane, 2,5,5-trimethyl-2-pentyl-
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, 2,5,5-trimethyl-2-pentyl-: INACTIVE
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
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