5-Butyl-4-methyldihydro-2(3H)-furanone
Properties
- Molecular formula
- C9H16O2
- Molar mass
- 156.22 g/mol
- Exact mass
- 156.1150 Da
- Density
- 1.442–1.446 g/mL
- Boiling point
- 93–94 °C (at 5 Torr)
- logP
- 2.13Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation14% of notifiers
- H319 Causes serious eye irritation14% of notifiers
- H335 May cause respiratory irritation13.7% of notifiers
Aggregated from 278 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
39212-23-2SMILES
CCCCC1OC(=O)CC1CInChIKey
WNVCMFHPRIBNCW-UHFFFAOYSA-NInChI
InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- cis-3-Methyl-4-octanolide
- 2(3H)-Furanone, 5-butyldihydro-4-methyl-
- 5-Butyldihydro-4-methyl-2(3H)-furanone
- β-Methyl-γ-octalactone
- Oaklactone
- Whiskey lactone
- 3-Methyl-4-octanolide
- 3-Methyloctano-4-lactone
- 5-Butyl-4-methyldihydrofuran-2(3H)-one
Work with 5-Butyl-4-methyldihydro-2(3H)-furanone
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds