Basic information
- CAS
105015-53-0- Standard SMILES
CCCC[C@H]1OC(=O)C[C@H]1C- InChIKey
WNVCMFHPRIBNCW-HTQZYQBOSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
(Z)-Oak lactone is a gamma-lactone.
Names & identifiers
- Preferred name
- 2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
- IUPAC
- (4R,5R)-5-butyl-4-methyloxolan-2-one
- English name
- (Z)-oak-lactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-cis-whiskeylactone
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
cis-Whiskey lactonecis-Oaklactone55013-32-6cis-MethyloctanolideWhiskey lactone, (Z)-FEMA No. 3803, Z-(+-)-cis-Whiskey lactonebeta-Methyl-gamma-octalactone, cis-O93PZ85MTG5-Butyl-4-methyldihydro-2(3H)-furanone, (Z)-2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-cis-beta-Methyl-gamma-Octalactone
Show more names
cis-β-Methyl-γ-octalactonerel-4α*-Methyl-5α*-butyl-4,5-dihydrofuran-2(3H)-onerel-(4R*,5R*)-4-Methyl-5-butyltetrahydrofuran-2-onerel-(3R*,4R*)-3-Methyl-4-butyl-4-hydroxybutanoic acid lactone(Z)-oak-lactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-cis-whiskeylactone
5-Butyl-4-methyldihydrofuran-2(3H)-one, (Z)-cis-.beta.-Methyl-.gamma.-Octalactone5-BUTYLDIHYDRO-4-METHYL-2(3H)-FURANONE (CIS)2(3H)-Furanone, 5-butyldihydro-4-methyl-, (4R,5R)-rel-RefChem:439873cis-3-Methyl-4-octanolide(4R,5R)-5-butyl-4-methyloxolan-2-one105015-53-0
Database identifiers
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
- 142
Physicochemical properties
- Boiling point
- 114 · 114-116 °C(Press: 9 Torr)
- Density
- 0.936 · 0.936±0.06 g/cm3(Predicted)
- Odor
- 1 % · at 1.00 % in propylene glycol. sweet spicy coconut vanilla
- Odor Type
- spicy
- LogP
- 2.631 · 2.631 (est)
- FDA UNII
- 93 PZ85MTG · O93PZ85MTG
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, 5-butyldihydro-4-methyl-, cis-
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: (Z)-Oak lactone is a gamma-lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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