3-Decyloxolan-2-one
Basic information
- CAS
2983-19-9- Standard SMILES
CCCCCCCCCCC1CCOC1=O- InChIKey
KYJJUDFDEQLXEA-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 3-Decyloxolan-2-one
- IUPAC
- 3-decyloxolan-2-one
- English name
- 3-Decyldihydro-2(3H)-furanone
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35
Names & synonyms
3-decyloxolan-2-one2983-19-9DTXSID70402234RefChem:278888DTXCID603530893-Decyldihydro-2(3H)-furanone3-Decyldihydrofuran-2(3H)-onea-decylbutyrolactoneSCHEMBL314216223-decyl-3,4,5-trihydrofuran-2-oneAKOS003238378ST002907
Show more names
A-DECYL-G-BUTYROLACTONEα-decyl-γ-butyrolactone2(3H)-Furanone, 3-decyldihydro-
Database identifiers
- CAS
2983-19-9- PubChem CID
- 4349991
- DTXSID
DTXSID70402234- Nikkaji
- J1.467.911A
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 28.5 · 28.5-31.5 °C(lit.)
- Boiling point
- 337 · 337-341 °C(lit.)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- Flash point
- 110 °C · 110 °C
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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