Basic information
- CAS
4478-63-1- Standard SMILES
CC(=O)C1OC1(C)C- InChIKey
NNQKVIBIXATSIX-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- 1-(3,3-Dimethyl-2-oxiranyl)ethanone
- IUPAC
- 1-(3,3-dimethyloxiran-2-yl)ethanone
- English name
- 3,4-epoxy-4-methylpentan-2-one
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
4478-63-13,4-Epoxy-4-methylpentan-2-oneDTXSID401032222RefChem:1054061DTXCID0015172301-(3,3-Dimethyl-2-oxiranyl)ethanone224-758-93,3-Dimethyl-2-acetyloxiraneEpoxymesityl oxide3-Acetyl-2,2-dimethyloxirane4-Methyl-3,4-epoxypentan-2-one1-(3,3-dimethyloxiran-2-yl)ethanone
Show more names
2,2-Dimethyl-3-acetyloxirane3,4-Epoxy-4-methyl-2-pentanone1-(3,3-Dimethyloxirane-2-yl)ethanoneEthanone, 1-(3,3-dimethyl-2-oxiranyl)-
2-Pentanone, 3,4-epoxy-4-methyl-Ethanone, 1-(3,3-dimethyloxiranyl)-142532-81-8EINECS 224-758-9NSC 139151AI3-03900142532-82-9NSC139151
Database identifiers
- CAS
4478-63-1- PubChem CID
- 20558
- DTXSID
DTXSID401032222- EC Number
- 224-758-9
- Nikkaji
- J49.954D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 44 · 44-48 °C(Press: 15 Torr)
- Density
- 0.9715 g/cm3 · 0.9715 g/cm3
Chemistry & industry
Suppliers3 total
CHEMSTEP[email protected]
ANAXLABORATORIES PRIVATE LIMITED[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…