FComEx: 4-Ethyl-gamma-butyrolactone (PC000823)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:55 UTC

Update date

2017-01-19 02:36:37 UTC

FoodComEx ID

PC000823

FoodDB Record

FDB008075

Chemical Information

Name

4-Ethyl-gamma-butyrolactone

Description

4-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 Number

695-06-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
«gamma»-Caprolactone	biospider
«gamma»-Ethyl-«gamma»-butyrolactone	biospider
«gamma»-Ethyl-N-butyrolactone	biospider
«gamma»-Ethylbutyrolactone	biospider
«gamma»-Hexalactone	biospider
«gamma»-Hexanolactone	biospider
4-Caprolactone	db_source
4-Ethyl-4-butanolide	HMDB
4-Ethyl-gamma-butyrolactone	manual
4-Ethylbutanolide (gamma-hexalactone)	HMDB
4-Ethylbutyrolactone	db_source
4-Hexanolactone	db_source
4-Hexanolide	db_source
4-Hydroxy-hexanoate	HMDB
4-Hydroxy-hexanoic acid	HMDB
4-Hydroxy-hexanoic acid gamma-lactone	HMDB
4-Hydroxy-hexanoic acid lactone	HMDB
4-Hydroxyhexanoate	HMDB
4-Hydroxyhexanoic acid	HMDB
4-Hydroxyhexanoic acid lactone	db_source
5-Ethyl-dihydro-furan-2-one	biospider
5-Ethyldihydro-2(3H)-furanone	db_source
5-Ethyldihydrofuran-2(3H)-one	HMDB
5-Ethyltetrahydro-2-furanone	HMDB
6-Caprolactone	HMDB
dihydro-5-Ethyl-2(3H)-furanone	HMDB
FEMA 2556	db_source
Furan-2-one (3 H) 5-ethyl(dihydro)	biospider
g-Hexalactone	db_source
gamma-Caprolactone	HMDB
gamma-Ethyl-gamma-butyrolactone	HMDB
gamma-Ethyl-N-butyrolactone	HMDB
gamma-Ethylbutyrolactone	HMDB
gamma-Hexalactone	HMDB
gamma-Hexanolactone	HMDB
Hexa-4-olide	HMDB
Hexanoic acid, 4-hydroxy-, «gamma»-lactone	biospider
Hexanoic acid, 4-hydroxy-, lactone	biospider
Hexanolide-1,4	HMDB
Tonkalide	HMDB
Toukalide	HMDB

Chemical Formula

C6H10O2

IUPAC name

5-ethyloxolan-2-one

InChI Identifier

InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3

InChI Key

JBFHTYHTHYHCDJ-UHFFFAOYSA-N

Isomeric SMILES

CCC1CCC(=O)O1

Average Molecular Weight

114.1424

Monoisotopic Molecular Weight

114.068079564

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.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Gamma butyrolactones

Direct Parent

Gamma butyrolactones

Alternative Parents