Basic information
- CAS
16400-70-7- Standard SMILES
CCCCC1CC=CC(=O)O1- InChIKey
FZGRTOXOBUQQAD-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 6-butyl-5,6-dihydro-
- IUPAC
- 2-butyl-2,3-dihydropyran-6-one
- English name
- 6-butyl-5,6-dihydropyran-2-one
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
2H-Pyran-2-one, 6-butyl-5,6-dihydro-16400-70-73-Butyl-3,4-dihydro-2H-pyran-2-oneDTXSID80884885RefChem:484383DTXCID0010243066-butyl-5,6-dihydro-2h-pyran-2-one2-butyl-2,3-dihydropyran-6-oneSCHEMBL3662595FZGRTOXOBUQQAD-UHFFFAOYSA-N6-butyl-5,6-dihydropyran-2-one
Database identifiers
- CAS
16400-70-7- PubChem CID
- 85996
- DTXSID
DTXSID80884885- Nikkaji
- J421.964C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 271.5 · 271.5±19.0 °C(Predicted)
- Density
- 0.976 · 0.976±0.06 g/cm3(Predicted)
- LogP
- 1.909 · 1.909 (est)
- EPA Substance Registry System
- 2 H-Pyran-2-one, · 2H-Pyran-2-one, 6-butyl-5,6-dihydro- (16400-70-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Pyran-2-one, 6-butyl-5,6-dihydro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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