W380300

Whiskey lactone

≥98%, FG

• Synonyme(s) : (±)-5-Butyl-4-methyldihydro-2(3H)-furanone
• Formule empirique (notation de Hill): C₉H₁₆O₂
• Numéro CAS: 39212-23-2
• Poids moléculaire : 156.22
• Numéro FEMA: 3803
• Numéro CE : 254-357-4
• Conseil de l'Europe Nº : 10535
• Numéro MDL: MFCD00209540
• Code UNSPSC : 12164502
• ID de substance PubChem : 329830658
• Numéro Flavis : 10.053
• Nomenclature NACRES : NA.21

Propriétés

• Source biologique: synthetic
• Niveau de qualité: 400
• Qualité: FG; Fragrance grade
• Agence: follows IFRA guidelines; meets purity specifications of JECFA
• Conformité réglementaire: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• Description: mixture of cis and trans
• Pureté: ≥98%
• Indice de réfraction: n20/D 1.4454 (lit.)
• Point d'ébullition: 93-94 °C/5 mmHg (lit.)
• Densité: 0.952 g/mL at 25 °C (lit.)
• Application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• Allergène alimentaire: no known allergens
• Allergène de parfum: no known allergens
• Propriétés organoleptiques: coconut; coumarin; woody; nutty; roasted
• Chaîne SMILES: CCCCC1OC(=O)CC1C
• InChI: 1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
• Clé InChI: WNVCMFHPRIBNCW-UHFFFAOYSA-N

Description

Description générale

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).

Informations sur la sécurité

• Code de la classe de stockage: 10 - Combustible liquids
• Classe de danger pour l'eau (WGK): WGK 2
• Point d'éclair (°F): 235.4 °F - closed cup
• Point d'éclair (°C): 113 °C - closed cup