Record Information
Version1.0
Creation date2015-10-09 22:30:18 UTC
Update date2017-01-19 02:36:21 UTC
FoodComEx IDPC000376
FoodDB RecordNot Available
Chemical Information
NamePropanoic acid
DescriptionPresent in apples, fruit juices, beef, beer, bread, cocoa, dairy products, e.g. ripe Swiss or Jarlsberg cheese, and roasted peanuts. Flavouring ingredient. Preservative used especies in bread and mould inhibitors. Propanoic acid is found in many foods, some of which are common mushroom, greenthread tea, butternut squash, and rowal.
CAS Number79-09-4
Structure
Thumb
Synonyms
SynonymSource
Acide propanoiqueChEBI
Acide propioniqueChEBI
AdofeedHMDB
Antischim bHMDB
Carboxyethanebiospider
CH3-CH2-COOHChEBI
E280db_source
Ethanecarboxylatebiospider
Ethanecarboxylic aciddb_source
EthylformateGenerator
Ethylformic acidmanual
FEMA 2924db_source
LuprosilHMDB
Metacetonatebiospider
Metacetonic aciddb_source
Methyl acetic acidbiospider
MethylacetateGenerator
Methylacetic acidbiospider
MonoPropHMDB
N-propionic acidbiospider
PAChEBI
Propanatebiospider
Propanoatebiospider
Propanoic acid (9CI)biospider
Propanyl acidbiospider
PropcornHMDB
PropioateGenerator
Propioic acidbiospider
Propionatebiospider
Propionic aciddb_source
Propionoic acidbiospider
PropionsaeureChEBI
PropkornHMDB
PropoateGenerator
Propoic acidChEBI
ProzoinHMDB
PseudoacetateGenerator
Pseudoacetic acidmanual
Toxi-checkHMDB
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI KeyXBDQKXXYIPTUBI-UHFFFAOYSA-N
Isomeric SMILESCCC(O)=O
Average Molecular Weight74.0785
Monoisotopic Molecular Weight74.036779436
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.33HANSCH,C ET AL. (1995)
Experimental Water Solubility1000 mg/mL at 25 oCUS EPA (1981)
Melting PointMp -21.5°DFC
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 1 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
AKSci S067
AKSci HMDB0000237
MetaSci HMDB0000237
Toronto Research Chemicals P786360