Record Information
Version1.0
Creation date2010-04-08 22:05:49 UTC
Update date2019-11-26 02:59:16 UTC
Primary IDFDB003481
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCyclopentanone
DescriptionFound in various foods, including potato and tomato, and cooked foods, e.g. butter, meats, coffee, roasted peanut. Flavouring ingredient Cyclopentanone is a colorless liquid organic compound with a peppermint-like odor. It is a cyclic ketone, structurally similar to cyclopentane, consisting of a five-membered ring containing a ketone functional group.
CAS Number120-92-3
Structure
Thumb
Synonyms
SynonymSource
3-Acetyl-6-methyl-pyran-2,4(3H)-dioneHMDB
Adipic ketonedb_source
Adipinketonbiospider
CPbiospider
Cyclopentanone [UN2245] [Flammable liquid]biospider
Dumasinbiospider
Dumasinedb_source
FEMA 3910db_source
Ketocyclopentanebiospider
Ketopentamethylenebiospider
OxocyclopentaneChEBI
Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-biospider
Predicted PropertiesNot Available
Chemical FormulaC5H8O
IUPAC name
InChI IdentifierInChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
InChI KeyBGTOWKSIORTVQH-UHFFFAOYSA-N
Isomeric SMILESO=C1CCCC1
Average Molecular Weight84.1164
Monoisotopic Molecular Weight84.057514878
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 71.39%; H 9.59%; O 19.02%DFC
Melting PointFp -58°DFC
Boiling PointBp 130°DFC
Experimental Water SolubilityNot Available
Experimental logP0.38DAYLIGHT (2003)
Experimental pKapKa 16.7 (25°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive Indexn20D 1.4366DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID8141
ChEMBL IDCHEMBL18620
KEGG Compound IDC00557
Pubchem Compound ID8452
Pubchem Substance IDNot Available
ChEBI ID16486
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB31407
CRC / DFC (Dictionary of Food Compounds) IDCZF97-T:CZF97-T
EAFUS ID806
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1017921
SuperScent IDNot Available
Wikipedia IDCyclopentanone
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
minty
  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