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Safety Information

W337307

Sigma-Aldrich

2-Methyltetrahydrofuran-3-one

≥97%, FG

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Synonym(s):
4,5-Dihydro-2-methyl-3(2H)-furanone, coffee furanone, 2-Methyltetrahydro-3-furanone
Empirical Formula (Hill Notation):
C5H8O2
CAS Number:
Molecular Weight:
100.12
FEMA Number:
3373
Beilstein:
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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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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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