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> Main
CHEBI:40116 - propyl acetate
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ChEBI Name
propyl acetate
ChEBI ID
CHEBI:40116
Definition
An acetate ester obtained by the formal condensation of acetic acid with propanol.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C5H10O2
Net Charge
0
Average Mass
102.13170
Monoisotopic Mass
102.06808
InChI
InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChIKey
YKYONYBAUNKHLG-UHFFFAOYSA-N
SMILES
CCCOC(C)=O
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.
Application
(s):
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
propyl acetate (
CHEBI:40116
)
has functional parent
propan-1-ol (
CHEBI:28831
)
propyl acetate (
CHEBI:40116
)
has role
fragrance (
CHEBI:48318
)
propyl acetate (
CHEBI:40116
)
has role
plant metabolite (
CHEBI:76924
)
propyl acetate (
CHEBI:40116
)
is a
acetate ester (
CHEBI:47622
)
IUPAC Name
propyl acetate
Synonyms
Sources
1-acetoxypropane
ChEBI
n-Propyl acetate
NIST Chemistry WebBook
propyl acetate
UniProt
propyl ethanoate
ChEBI
Manual Xrefs
Databases
4PA
PDBeChem
DB01670
DrugBank
HMDB0034237
HMDB
Propyl_acetate
Wikipedia
WO2011071131
Patent
View more database links
Registry Number
Type
Source
109-60-4
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
21535646
PubMed citation
Europe PMC
22821412
PubMed citation
Europe PMC
Last Modified
07 July 2020