 Home > Encyclopedia > 5-Methyl-2(5H)-furanone

5-Methyl-2(5H)-furanone

5-Methyl-2(5H)-furanone structure

CAS No:
591-11-7
Formula:
C5H6O2
Chemical Name:
5-Methyl-2(5H)-furanone
Synonyms:
2(5H)-Furanone,5-methyl-;2-Pentenoic acid,4-hydroxy-,γ-lactone;5-Methyl-2(5H)-furanone;β-Angelica lactone;4-Hydroxypent-2-enoic acid lactone;Δ1-Angelica lactone;α,β-Angelica lactone;4-Hydroxy-2-pentenoic acid γ-lactone;γ-Methyl-Δα,β-butenolide;2-Penten-4-olide;2-Oxo-5-methyl-2,5-dihydrofuran;5-Methyl-5H-furan-2-one;4-Methyl-2-buten-4-olide;NSC 655;2-Methyl-2H-furan-5-one;70428-45-4
Categories:
Organic Chemistry > Lactones

Description

Liquid

Beta-angelica lactone is an angelica lactone and a butenolide. It derives from a but-2-en-4-olide. It is a tautomer of an alpha-angelica lactone.

5-Methyl-2(5H)-furanone Basic Attributes

Molecular Weight：

98.1

Exact Mass：

98.10

EC Number：

209-700-2

NSC Number：

11835|655

Characteristics

PSA：

26.3

XLogP3：

0.6

Appearance：

Liquid

Density：

1.081 g/cm³ @ Temp: 20.44 °C

Melting Point：

<-17 °C

Boiling Point：

209 °C

Flash Point：

78.9ºC

Refractive Index：

1.459

Water Solubility：

50 mg/mL at 15 °C

Drug Information

MeSH Entry Terms：

alpha-angelicalactone

5-Methyl-2(5H)-furanone Use and Manufacturing

Manufacturing Info：

2(?H)-Furanone, 5-methyl-: ACTIVE

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:98.10
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:98.036779430
Monoisotopic Mass:98.036779430
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:115
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes