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Merck
CN

W380300

Sigma-Aldrich

威士忌内酯

≥98%, FG

别名:

(±)-5-丁基-4-甲基二氢-2(3H)-呋喃酮

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About This Item

经验公式(希尔记法):
C9H16O2
CAS号:
分子量:
156.22
FEMA编号:
3803
EC 号:
欧洲委员会编号:
10535
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
10.053
NACRES:
NA.21
性状检查:
coconut; coumarin; woody; nutty; roasted
等级:
FG
Fragrance grade
生物来源:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
食品过敏原:
no known allergens

生物来源

synthetic

质量水平

等级

FG
Fragrance grade

Agency

follows IFRA guidelines
meets purity specifications of JECFA

管理合规性

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

描述

mixture of cis and trans

方案

≥98%

折射率

n20/D 1.4454 (lit.)

沸点

93-94 °C/5 mmHg (lit.)

密度

0.952 g/mL at 25 °C (lit.)

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

no known allergens

性状检查

coconut; coumarin; woody; nutty; roasted

SMILES字符串

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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一般描述

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.

应用


  • 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).

储存分类代码

10 - Combustible liquids

WGK

WGK 2

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup


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分析证书(COA)

Lot/Batch Number

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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)
The training level of experts influences their detection thresholds for key wine compounds.
Tempere S, et al.
Chemosensory Perception, 4(3), 99-115 (2011)

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