| Common Name |
5-Methyl-2(3H)-furanone
| Description |
5-Methyl-2(3H)-furanone is a flavouring for baked goods, milk and meat produts5-Methyl-2(3H)-furanone belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29609 (5-Methyl-2(3H)-furanone)
| Synonyms |
| Value |
Source |
2-Penten-4-olideChEBI
4-Hydroxy-2-pentenoic acid gamma-lactoneChEBI
4-Hydroxypent-2-enoic acid lactoneChEBI
5-Methyl-2(5H)-furanoneChEBI
alpha,beta-Angelica lactoneChEBI
beta-AngelicalactonChEBI
beta-AngelicalactoneChEBI
Delta(1)-Angelica lactoneChEBI
gamma-Methyl-alpha,beta-crotonolactoneChEBI
4-Hydroxy-2-pentenoate g-lactoneGenerator
4-Hydroxy-2-pentenoate gamma-lactoneGenerator
4-Hydroxy-2-pentenoate γ-lactoneGenerator
4-Hydroxy-2-pentenoic acid g-lactoneGenerator
4-Hydroxy-2-pentenoic acid γ-lactoneGenerator
4-Hydroxypent-2-enoate lactoneGenerator
a,b-Angelica lactoneGenerator
α,β-angelica lactoneGenerator
b-AngelicalactonGenerator
β-angelicalactonGenerator
b-AngelicalactoneGenerator
β-angelicalactoneGenerator
δ(1)-angelica lactoneGenerator
g-Methyl-a,b-crotonolactoneGenerator
γ-methyl-α,β-crotonolactoneGenerator
2,3-dihydro-5-Methyl-2-furanoneHMDB
3-Pentenoic acid, 4-hydroxy-, gamma-lactoneHMDB
3-Pentenoic acid, 4-hydroxy-, laquo gammaraquo -lactoneHMDB
3-PENTENOIC ACID,4-hydroxy,lactone alpha-angelica-lactoneHMDB
4-Hydroxy-3-pentenoic acid g-lactoneHMDB
4-Hydroxy-3-pentenoic acid gamma-lactoneHMDB
4-Hydroxy-3-pentenoic acid lactoneHMDB
4-Hydroxy-3-pentenoic acid laquo gammaraquo -lactoneHMDB
4-Hydroxy-3-pentenoic acid, gamma-lactoneHMDB
4-Hydroxypent-3-enoic acid lactoneHMDB
5-Methyl-2(3H)-furanone (alpha -angelicalactone)HMDB
5-Methylfuran-2(3H)-oneHMDB
a-Angelica lactoneHMDB
alpha(alpha-Angelica lactoneHMDB
alpha(beta,gamma Or delta2)-angelica lactoneHMDB
alpha-Angelic lactoneHMDB
alpha-Angelica lactoneHMDB
alpha-AngelicalactonHMDB
alpha-AngelicalactoneHMDB
Angelic lactoneHMDB
Angelica lactoneHMDB
beta,gamma-Angelica lactoneHMDB
beta,laquo gammaraquo -Angelica lactoneHMDB
D2-Angelica lactoneHMDB
delta(2)-Angelica lactoneHMDB
FEMA 3293HMDB
gamma-Methyl-beta,gamma-crotonolactoneHMDB
laquo deltaraquo 2-Angelica lactoneHMDB
PENTEN-3-OIC ACID, 4-hydroxy-, gamma-lactoneHMDB
Penten-3-Oic acid, 4-hydroxy-, laquo gammaraquo -lactoneHMDB
| Chemical Formlia |
C5H6O2
| Average Molecliar Weight |
98.0999
| Monoisotopic Molecliar Weight |
98.036779436
| IUPAC Name |
5-methyl-2,5-dihydrofuran-2-one
| Traditional Name |
α,β-angelica lactone
| CAS Registry Number |
591-12-8
| SMILES |
CC1OC(=O)C=C1
| InChI Identifier |
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
| InChI Key |
BGLUXFNVVSVEET-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
| Kingdom |
Organic compounds
| Super Class |
Organoheterocyclic compounds
| Class |
Dihydrofurans
| Sub Class |
Furanones
| Direct Parent |
Butenolides
| Alternative Parents |
Enoate esters
Lactones
Oxacyclic compounds
Monocarboxylic acids and derivatives
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
2-furanone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Lactone
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Flavoring Agent
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Liquid
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point18 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility50 mg/mL at 15 °CNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility100.0 mg/mLALOGPS
logP0.53ALOGPS
logP0.95ChemAxon
logS0.01ALOGPS
pKa (Strongest Acidic)7.6ChemAxon
pKa (Strongest Basic)-6.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity25.67 m3·mol-1ChemAxon
Polarizability9.44 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000776
| KNApSAcK ID |
Not Available
| Chemspider ID |
11070
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29609
| Metagene Link |
HMDB29609
| METLIN ID |
Not Available
| PubChem Compound |
11558
| PDB ID |
Not Available
| ChEBI ID |
36436
Product: D,L-3-Indolylglycine
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 9827575