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Merck
CN

W380300

Whiskey lactone

≥98%, FG

Synonym(s):

(±)-5-Butyl-4-methyldihydro-2(3H)-furanone

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About This Item

Empirical Formula (Hill Notation):
C9H16O2
CAS Number:
39212-23-2
Molecular Weight:
156.22
FEMA Number:
3803
Council of Europe no.:
10535
UNSPSC Code:
12164502
PubChem Substance ID:
329830658
Flavis number:
10.053
EC Number:
254-357-4
NACRES:
NA.21
MDL number:
MFCD00209540
Organoleptic:
coconut; coumarin; woody; nutty; roasted
Grade:
FG, Fragrance grade
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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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

biological source

synthetic

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

Quality Level

300

Related Categories

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).

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT4923
SHBT1097
SHBQ2178
STBK0040
STBK0039

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The training level of experts influences their detection thresholds for key wine compounds.
Tempere S, et al.
Chemosensory Perception, 4(3), 99-115 (2011)
Determination of aroma compounds from alcoholic beverages in spiked blood samples by means of dynamic headspace GC?MS.
Schulz K, et al.
Chromatographia, 66(11-12), 879-886 (2007)

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