Basic information
- CAS
17257-79-3- Standard SMILES
CC(=O)C1OC1C- InChIKey
IAHUKWSQLBRAIN-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 3,4-Epoxy-2-pentanone
- IUPAC
- 1-(3-methyloxiran-2-yl)ethanone
- English name
- 2β-Acetyl-3α-methyloxirane
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
17257-79-33,4-epoxy-2-pentanone1-(3-methyloxiran-2-yl)ethanone2beta-Acetyl-3alpha-methyloxirane2-Pentanone, 3,4-epoxy-1-(3-METHYLOXIRANYL)ETHANONEEthanone, 1-(3-methyloxiranyl)-3,4-Epoxy-2-pentanone; 1-(3-methyloxiranyl)-ethanone; 1-(3-Methyloxiranyl)ethanone; 1-Acetyl-2-methyloxirane; 2-Acetyl-3-methyloxirane1-(3-methyloxiran-2-yl)ethan-1-oneSCHEMBL11881829DTXSID60938173IAHUKWSQLBRAIN-UHFFFAOYSA-N
Show more names
2β-Acetyl-3α-methyloxirane2-Pentulose, 3,4-anhydro-1,5-dideoxy-
3,4-Anhydro-1,5-dideoxypent-2-ulose3,4-Anhydro-1,5-dideoxypent-2-ulose #
Database identifiers
- CAS
17257-79-3- PubChem CID
- 28429
- DTXSID
DTXSID60938173- Nikkaji
- J129.222F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98.3
Physicochemical properties
- Boiling point
- 44 · 44-45 °C(Press: 11 Torr)
- Density
- 0.9818 g/cm3 · 0.9818 g/cm3
- solubility
- soluble in Chloroform, Methanol
- form
- Oil
- color
- Clear Colorless
Chemistry & industry
Applications
Uses3,4-Epoxy-2-pentanone is a starting material to prepare chiral peroxides as biologically interesting or even clinically important compounds.
Suppliers1 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…