W380300

Whiskey lactone

≥98%, FG

• Synonym(s): (±)-5-Butyl-4-methyldihydro-2(3H)-furanone
• Empirical Formula (Hill Notation): C₉H₁₆O₂
• CAS Number: 39212-23-2
• Molecular Weight: 156.22
• FEMA Number: 3803
• EC Number: 254-357-4
• Council of Europe no.: 10535
• MDL number: MFCD00209540
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830658
• Flavis number: 10.053
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• description: mixture of cis and trans
• Assay: ≥98%
• refractive index: n20/D 1.4454 (lit.)
• bp: 93-94 °C/5 mmHg (lit.)
• density: 0.952 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: coconut; coumarin; woody; nutty; roasted
• SMILES string: CCCCC1OC(=O)CC1C
• 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

Description

General description

Whiskey lactone is the common name of (±)-5-butyl-4-methyldihydro-2(3H)-furanone. It is a volatile aromatic compound found in whiskey and wine aged in oak barrels. The detection of whiskey lactone in blood samples can be done by quantitative gas chromatography–mass spectrometry (dynamic HS–GC–MS) with the limit of detection of about 1,000μgL^-1.

Application

• Investigating the effect of three phenolic fractions on the volatility of floral, fruity, and aged aromas by HS-SPME-GC-MS and NMR in model wine.: This research examines how different phenolic fractions influence the volatility of whiskey lactone among other compounds in model wine, providing insights valuable for winemaking and food chemistry (Wang et al., 2022).


• Accurate Determination of 12 Lactones and 11 Volatile Phenols in Nongrape Wines through Headspace-Solid-Phase Microextraction (HS-SPME) Combined with High-Resolution Gas Chromatography-Orbitrap Mass Spectrometry (GC-Orbitrap-MS).: This paper details a method for accurately quantifying whiskey lactone and other volatile compounds in nongrape wines, enhancing our understanding of flavor profiles in various alcoholic beverages (Liu et al., 2022).

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup