MilliporeSigma
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393509

Sigma-Aldrich

3-Methyl-2(5H)-furanone

technical grade, 90%

Empirical Formula (Hill Notation):
C5H6O2
CAS Number:
Molecular Weight:
98.10
Beilstein:
1642
MDL number:
PubChem Substance ID:

grade

technical grade

Quality Level

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.)

SMILES string

CC1=CCOC1=O

InChI

1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3

InChI key

VGHBEMPMIVEGJP-UHFFFAOYSA-N

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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.[1]
3-Methyl-2(5H)-furanone, a five membered conjugated lactone, is a volatile compound.[2] Its synthesis has been reported.[3][4] It is reported to be one of the predominant constituent of the flavor of pandan leaves.[5] It is also found in Thai soy sauce, Arabica roasted coffee samples from Brazil, bio-oil from pine wood sawdust.[6][7][8]

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[2] and also to study the airway irritation of isoprene, isoprene/ozone, and isoprene/ozone/nitrogen dioxide mixture.[7]

Packaging

1, 5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

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

Certificate of Analysis

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Certificate of Origin

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