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W380300

Sigma-Aldrich

Whiskey lactone

≥98%, FG

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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
PubChem Substance ID:
329830658
Flavis number:
10.053
NACRES:
NA.21

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

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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.

Storage Class Code

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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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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