W337307

2-Methyltetrahydrofuran-3-one

≥97%, FG

• Synonym(s): 4,5-Dihydro-2-methyl-3(2H)-furanone, coffee furanone, 2-Methyltetrahydro-3-furanone
• Empirical Formula (Hill Notation): C₅H₈O₂
• CAS Number: 3188-00-9
• Molecular Weight: 100.12
• FEMA Number: 3373
• Beilstein: 1341334
• EC Number: 221-685-4
• Council of Europe no.: 2338
• MDL number: MFCD00010423
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901672
• Flavis number: 13.042
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• 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

Description

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).

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H302
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P301 + P312
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 102.2 °F - closed cup
• Flash Point(C): 39 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves