393509

3-Methyl-2(5H)-furanone

technical grade, 90%

• Synonym(s): α-Methyl-γ-crotonolactone, 2-Methyl-2-butenolide, 2-Methylbut-2-en-4-olide, 3-Methyl-2,5-dihydrofuran-2-one, 3-Methyl-5H-furan-2-one, 4-Hydroxy-2-methyl-2-butenoic acid γ-lactone
• Empirical Formula (Hill Notation): C₅H₆O₂
• CAS Number: 22122-36-7
• Molecular Weight: 98.10
• Beilstein: 1642
• MDL number: MFCD00191545
• UNSPSC Code: 12352100
• PubChem Substance ID: 24864521
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• Assay: 90%
• form: liquid
• refractive index: n20/D 1.467 (lit.)
• bp: 97-99 °C/20 mmHg (lit.)
• density: 1.13 g/mL at 25 °C (lit.)
• functional group: ester
• SMILES string: CC1=CCOC1=O
• InChI: 1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3
• InChI key: VGHBEMPMIVEGJP-UHFFFAOYSA-N

Description

General description

3-Methyl-2(5H)-furanone (3-Methylfuran-2(5H)-one) has been synthesized in highest yield (77%) by employing α-methyl-γ- butyrolactone as starting reagent.

3-Methyl-2(5H)-furanone, a five membered conjugated lactone, is a volatile compound. Its synthesis has been reported. It is reported to be one of the predominant constituent of the flavor of pandan leaves. It is also found in Thai soy sauce, Arabica roasted coffee samples from Brazil, bio-oil from pine wood sawdust.

Application

3-Methyl-2(5H)-furanone is the suitable model compound used to investigate the fragmentation mechanism of five membered lactones by electrospray ionisation tandem mass spectrometry and also to study the airway irritation of isoprene, isoprene/ozone, and isoprene/ozone/nitrogen dioxide mixture.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 200.1 °F - closed cup
• Flash Point(C): 93.4 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves