Record Information
Version1.0
Creation date2015-10-09 22:32:55 UTC
Update date2017-01-19 02:36:37 UTC
FoodComEx IDPC000823
FoodDB RecordFDB008075
Chemical Information
Name4-Ethyl-gamma-butyrolactone
Description4-hydroxy-Hexanoic acid gamma-lactone is occasionally found as a volatile component of human urine. 4-hydroxy-Hexanoic acid gamma-lactone has been found in the polar fraction of human blood. Biological fluids such as blood and urine have been shown to contain a large number of components, some of them volatiles (low boiling point) apparently present in all individuals, while others such are much more variable. In some cases differences up to an order of magnitude are observed. Although some of these changes may have dietary origins, others seem to be characteristic of the individual. (PMID: 5556886, 6480763, 15835926)
CAS Number695-06-7
Structure
Thumb
Synonyms
SynonymSource
«gamma»-Caprolactonebiospider
«gamma»-Ethyl-«gamma»-butyrolactonebiospider
«gamma»-Ethyl-N-butyrolactonebiospider
«gamma»-Ethylbutyrolactonebiospider
«gamma»-Hexalactonebiospider
«gamma»-Hexanolactonebiospider
4-Caprolactonedb_source
4-Ethyl-4-butanolideHMDB
4-Ethyl-gamma-butyrolactonemanual
4-Ethylbutanolide (gamma-hexalactone)HMDB
4-Ethylbutyrolactonedb_source
4-Hexanolactonedb_source
4-Hexanolidedb_source
4-Hydroxy-hexanoateHMDB
4-Hydroxy-hexanoic acidHMDB
4-Hydroxy-hexanoic acid gamma-lactoneHMDB
4-Hydroxy-hexanoic acid lactoneHMDB
4-HydroxyhexanoateHMDB
4-Hydroxyhexanoic acidHMDB
4-Hydroxyhexanoic acid lactonedb_source
5-Ethyl-dihydro-furan-2-onebiospider
5-Ethyldihydro-2(3H)-furanonedb_source
5-Ethyldihydrofuran-2(3H)-oneHMDB
5-Ethyltetrahydro-2-furanoneHMDB
6-CaprolactoneHMDB
dihydro-5-Ethyl-2(3H)-furanoneHMDB
FEMA 2556db_source
Furan-2-one (3 H) 5-ethyl(dihydro)biospider
g-Hexalactonedb_source
gamma-CaprolactoneHMDB
gamma-Ethyl-gamma-butyrolactoneHMDB
gamma-Ethyl-N-butyrolactoneHMDB
gamma-EthylbutyrolactoneHMDB
gamma-HexalactoneHMDB
gamma-HexanolactoneHMDB
Hexa-4-olideHMDB
Hexanoic acid, 4-hydroxy-, «gamma»-lactonebiospider
Hexanoic acid, 4-hydroxy-, lactonebiospider
Hexanolide-1,4HMDB
TonkalideHMDB
ToukalideHMDB
Chemical FormulaC6H10O2
IUPAC name5-ethyloxolan-2-one
InChI IdentifierInChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
InChI KeyJBFHTYHTHYHCDJ-UHFFFAOYSA-N
Isomeric SMILESCCC1CCC(=O)O1
Average Molecular Weight114.1424
Monoisotopic Molecular Weight114.068079564
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactones
Sub ClassGamma butyrolactones
Direct ParentGamma butyrolactones
Alternative Parents
Substituents
  • Gamma butyrolactone
  • Tetrahydrofuran
  • Carboxylic acid ester
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting Point-18 oC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci R375
Fluka HMDB0003843
MetaSci HMDB0003843