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W337307

Sigma-Aldrich

2-Methyltetrahydrofuran-3-one

≥97%, FG

Synonym(s):

4,5-Dihydro-2-methyl-3(2H)-furanone, coffee furanone, 2-Methyltetrahydro-3-furanone

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About This Item

Empirical Formula (Hill Notation):
C5H8O2
CAS Number:
Molecular Weight:
100.12
FEMA Number:
3373
Beilstein/REAXYS Number:
1341334
EC Number:
Council of Europe no.:
2338
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
13.042
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

assay

≥97%

refractive index

n20/D 1.429 (lit.)

bp

139 °C (lit.)

density

1.034 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

coffee; nutty; brown; rum

SMILES string

CC1OCCC1=O

InChI

1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

InChI key

FCWYQRVIQDNGBI-UHFFFAOYSA-N

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Related Categories

Application

  • Low-temperature combustion chemistry of novel biofuels: resonance-stabilized QOOH in the oxidation of diethyl ketone.: This article explores the combustion chemistry of biofuels, including the oxidation mechanisms of diethyl ketone and related compounds, highlighting the role of 2-methyltetrahydrofuran-3-one as an intermediate in low-temperature oxidation processes (Scheer et al., 2014).

pictograms

FlameExclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

wgk_germany

WGK 2

flash_point_f

closed cup

flash_point_c

closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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