Basic information
- CAS
40541-41-1- Standard SMILES
CC(C)CCC1CCOC1=O- InChIKey
SGQTUZRWTKNTGV-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2(3H)-Furanone, dihydro-3-(3-methylbutyl)-
- IUPAC
- 3-(3-methylbutyl)oxolan-2-one
- English name
- dihydro-3-(3-methylbutyl)furan-2(3H)-one
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
40541-41-12(3H)-Furanone, dihydro-3-(3-methylbutyl)-alpha-Isoamyl-gamma-butyrolactoneEINECS 254-967-0NSC 85304DTXSID70885806RefChem:439880DTXCID701025167NSC-85304.alpha.-Isoamyl-.gamma.-butyrolactone3-(3-methylbutyl)oxolan-2-oneDihydro-3-(3-methylbutyl)furan-2(3H)-one
Show more names
a-iso-amyl-g-butyrolactone4,5-Dihydro-3-(3-methylbutyl)furan-2(3H)-one
NSC85304MSD8T7UJT5NCIOpen2_000966alpha-Iso-amyl-gamma-butyrolactone3-Isopentyldihydro-2(3H)-furanone #AKOS006271980DB-318609Dihydro-3-(3-methylbutyl)-2(3H)-furanone
Database identifiers
- CAS
40541-41-1- PubChem CID
- 98170
- DTXSID
DTXSID70885806- UNII
- MSD8T7UJT5
- EC Number
- 254-967-0
- Nikkaji
- J332.444C
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 140
Physicochemical properties
- Boiling point
- 83 · 83-84 °C(Press: 5 Torr)
- Density
- 0.942 g/cm3 · 0.9420 g/cm3
- EPA Substance Registry System
- 2 · 2(3H)-Furanone, dihydro-3-(3-methylbutyl)- (40541-41-1)
- 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: 2(3H)-Furanone, dihydro-3-(3-methylbutyl)-
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 Information2(3H)-Furanone, dihydro-3-(3-methylbutyl)-: INACTIVE
Suppliers3 total
ADVAN-SYNTH[email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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