Structure Database (LMSD)

Common Name
propionyl butyrate
Systematic Name
Propyl butyrate
Synonyms
  • WE(3:0/4:0)
LM ID
LMFA07010417
Formula
C7H14O2
Exact Mass
Calculate m/z
130.09938
Sum Composition
SFE 7:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malus domestica (#3750)
Magnoliopsida (#3398)
Flavour losses in apple juice manufacture,
Food, 1981

String Representations

InChiKey (Click to copy)
HUAZGNHGCJGYNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCC

Other Databases

HMDB ID
HMDB0039618
CHEBI ID
89719
PubChem CID
7770

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 144.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.02
Molar Refractivity 36.65

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Created at
-
Updated at
13th Nov 2025