CHEBI:89831 - butyl propionate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butyl propionate
ChEBI ID CHEBI:89831
Definition A propanoate ester of butan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9171282, eMolecules:496702, ZINC000001586746
Download Molfile XML SDF
Formula C7H14O2
Net Charge 0
Average Mass 130.187
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
InChIKey BTMVHUNTONAYDX-UHFFFAOYSA-N
SMILES O(CCCC)C(CC)=O
Metabolite of Species Details
Glycine max (NCBI:txid3847) See: PubMed
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
insect attractant
A chemical that attracts insects.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing butyl propionate (CHEBI:89831) has functional parent butan-1-ol (CHEBI:28885)
butyl propionate (CHEBI:89831) has role flavouring agent (CHEBI:35617)
butyl propionate (CHEBI:89831) has role human metabolite (CHEBI:77746)
butyl propionate (CHEBI:89831) has role insect attractant (CHEBI:24850)
butyl propionate (CHEBI:89831) has role plant metabolite (CHEBI:76924)
butyl propionate (CHEBI:89831) is a propanoate ester (CHEBI:36243)
IUPAC Name
butyl propanoate
Synonyms Sources
butyl ester of propanoic acid HMDB
butyl propanoate UniProt
butyl propanoate ChemIDplus
butyl propionate ChemIDplus
FEMA 2211 ChemIDplus
n-butyl n-propionate HMDB
n-butyl propanoate ChemIDplus
n-butyl propionate ChemIDplus
n-butylpropionate ChemIDplus
propanoic acid butyl ester ChEBI
propionic acid butyl ester ChEBI
Manual Xrefs Databases
C00050485 KNApSAcK
CPD-19956 MetaCyc
FDB001358 FooDB
HMDB0030052 HMDB
View more database links
Registry Numbers Types Sources
1700932 Reaxys Registry Number Reaxys
590-01-2 CAS Registry Number ChemIDplus
590-01-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations
Last Modified
02 November 2021