Record Information
Version1.0
Creation date2015-10-09 22:30:50 UTC
Update date2017-01-19 02:36:25 UTC
FoodComEx IDPC000470
FoodDB RecordFDB003392
Chemical Information
Namegamma-Butyrolactone
DescriptionPresent in morello cherry, melon, pineapple, blackberry, quince, strawberry jam, wine, soybeans, black tea, Bourbon vanilla, wheat bread, crispbread and other breads. Flavour ingredient [DFC]. gamma-Butyrolactone is found in many foods, some of which are yellow bell pepper, pepper (c. annuum), red bell pepper, and pulses.
CAS Number96-48-0
Structure
Thumb
Synonyms
SynonymSource
1-Oxacyclopentan-2-onebiospider
1-Oxacyclopentane-2-onebiospider
1,2-Butanolidebiospider
1,4-Butanolidebiospider
1,4-Butyrolactonebiospider
1,4-Lactonebiospider
2-Dihydrofuranonebiospider
2-Oxolanonebiospider
2-Oxotetrahydrofurandb_source
2,3,4,5-Tetrahydro-2-furanonebiospider
2(3H)-dihydrofuranonebiospider
3-Hydroxybutyric acid lactonebiospider
4-Butanolidebiospider
4-Butyrolactonebiospider
4-DeoxytetronateGenerator
4-Deoxytetronic acidbiospider
4-Hydroxy-Butanoic acid g-lactonebiospider
4-Hydroxybutanoic acid lactonebiospider
4-Hydroxybutanoic acid, «gamma»-lactonebiospider
4-Hydroxybutyrate lactoneGenerator
4-Hydroxybutyric acid lactonedb_source
4-Hydroxybutyric acid, «gamma»-lactonebiospider
4,5-Dihydro-2(3H)-furanonebiospider
Butyric acid lactonebiospider
Butyrolactonebiospider
Butyryl lactonebiospider
Butyrylactonebiospider
Dihydro-2-furanonebiospider
Dihydro-2(3H)-furanonedb_source
Dihydrofuran-2(3H)-onebiospider
Dihyro-2-furanonebiospider
FEMA 3291db_source
g-Butalactonebiospider
g-ButanolactoneGenerator
g-Butyrolactonedb_source
g-Butyryllactonebiospider
g-Hydroxybutyrate lactoneGenerator
g-Hydroxybutyric acid lactonebiospider
g-HydroxybutyrolactoneGenerator
gamma-Butalactonebiospider
gamma-Butanolactonebiospider
gamma-Butyrolactonebiospider
gamma-Butyryllactonebiospider
gamma-Hydroxybutyrate lactoneGenerator
gamma-Hydroxybutyric acid cyclic esterbiospider
gamma-Hydroxybutyric acid lactonebiospider
gamma-Hydroxybutyrolactonebiospider
gamma-Lactone 4-hydroxy-butanoic acidbiospider
gamma-Lactone 4-hydroxy-butyric acidbiospider
gamma-Lactone 4-hydroxybutanoic acidbiospider
gamma-Lactone 4-hydroxybutyric acidbiospider
GBLHMDB
Hydroxybutanoic acid lactonebiospider
Paint clean gHMDB
Tetrahydro-2-furanonebiospider
Tetrahydrofuran-2-oneChEBI
γ-butanolactoneGenerator
γ-butyrolactoneGenerator
γ-hydroxybutyrate lactoneGenerator
γ-hydroxybutyric acid lactoneGenerator
γ-hydroxybutyrolactoneGenerator
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChI KeyYEJRWHAVMIAJKC-UHFFFAOYSA-N
Isomeric SMILESO=C1CCCO1
Average Molecular Weight86.0892
Monoisotopic Molecular Weight86.036779436
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 logP-0.64HANSCH,C ET AL. (1995)
Experimental Water Solubility1000 mg/mLWEAST,RC (1972)
Melting Point-45
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 Formsolid
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
Toronto Research Chemicals B760995