Whiskey lactone

• Catalog Number: ACM39212232
• Product Name: Whiskey lactone
• CAS: 39212-23-2
• Category: Main Products
• Synonyms: Methyl octalactone
• IUPAC Name: 5-Butyl-4-methyloxolan-2-one
• Molecular Weight: 156.22
• Molecular Formula: C9H16O2
• Canonical SMILES: CCCCC1C(CC(=O)O1)C
• InChI: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
• InChI Key: WNVCMFHPRIBNCW-UHFFFAOYSA-N
• Boiling Point: 93-94 °C
• Flash Point: >230 °F
• Density: 0.952 g/mL at 25 °C(lit.)
• Appearance: colorless to light yellow transparent liquid
• Assay: 0.99
• EC Number: 254-357-4
• Exact Mass: 156.115029749
• Hazard Statements: Xi
• Monoisotopic Mass: 156.115029749
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.4454(lit.)
• Safety Description: 26-36-37/39
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 26.3 Ų

Custom Q&A

What is the molecular formula of whiskey lactone?

The molecular formula of whiskey lactone is C9H16O2.

What are the synonyms for whiskey lactone?

The synonyms for whiskey lactone are Quercuslactone a, methyl octalactone, Oaklactone, Methyloctalactone, and more.

What is the CAS number of whiskey lactone?

The CAS number of whiskey lactone is 39212-23-2.

What is the IUPAC name of whiskey lactone?

The IUPAC name of whiskey lactone is 5-butyl-4-methyloxolan-2-one.

What is the InChI of whiskey lactone?

The InChI of whiskey lactone is InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3.

What is the molecular weight of whiskey lactone?

The molecular weight of whiskey lactone is 156.22 g/mol.

How many hydrogen bond acceptors does whiskey lactone have?

Whiskey lactone has 2 hydrogen bond acceptors.

How many rotatable bonds does whiskey lactone have?

Whiskey lactone has 3 rotatable bonds.

What is the topological polar surface area of whiskey lactone?

The topological polar surface area of whiskey lactone is 26.3Ų.

Does whiskey lactone have any defined atom stereocenters?

Whiskey lactone does not have any defined atom stereocenters.