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Showing Compound gamma-Butyrolactone (FDB003392)

Record Information
Version1.0
Creation date2010-04-08 22:05:47 UTC
Update date2019-11-26 02:59:09 UTC
Primary IDFDB003392
Secondary Accession NumbersNot Available
Chemical Information
FooDB 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
MOLSDFPDBSMILESInChI
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
Predicted PropertiesNot Available
Chemical FormulaC4H6O2
IUPAC name
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
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Indirect biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionC 55.81%; H 7.02%; O 37.17%DFC
Melting Point-45
Boiling PointBp12 89°DFC
Experimental Water Solubility1000 mg/mLWEAST,RC (1972)
Experimental logP-0.64HANSCH,C ET AL. (1995)
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd0 1.44DFC
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID7029
ChEMBL IDCHEMBL95681
KEGG Compound IDC01770
Pubchem Compound ID7302
Pubchem Substance IDNot Available
ChEBI ID42639
Phenol-Explorer IDNot Available
DrugBank IDDB04699
HMDB IDHMDB00549
CRC / DFC (Dictionary of Food Compounds) IDCXH55-B:CXH55-B
EAFUS ID1728
Dr. Duke IDGAMMA-BUTYROLACTONE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDGBL
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID96-48-0
GoodScent IDrw1028441
SuperScent IDNot Available
Wikipedia ID4-Hydroxybutyric acid lactone
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
neurotoxic50910 A poison that interferes with the functions of the nervous system.CHEBI
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
caramel
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
  2. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
sweet
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
creamy
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
oily
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
fatty
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).