Compound Summary

General Compound Information

decanal

Description
Decanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). It has a role as an antifungal agent, a fragrance and a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.
Synonyms
Decanal;  Decyl aldehyde;  112-31-2;  Capraldehyde;  Caprinaldehyde;
FlavorDB ID
2548
PUBCHEM ID
Molecular Weight
156.26
Molecular Formula
C10H20O
Openeye Can Smiles
CCCCCCCCCC=O
IUPAC Inchikey
KSMVZQYAVGTKIV-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell citrus-like, soapy 6.400e-6 µmol/L details
smell citrus-like, soapy 5.952e-2 µmol/L orange juice details
smell citrusy, soapy 5.952e-2 µmol/L jackfruit pulp details
smell citrus-like, soap-like 5.952e-2 µmol/L cempedak details
smell fruity, orange water details
smell fruity, orange 1.921e-2 µmol/L water details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: Decaldehyde (Decanal) is a colorless to light-yellow liquid. The main use of decanal is for citrus tones and for the manufacture of synthetic citrus oils. In addition, the C10 aldehydes have value as intermediates in the synthesis of pharmaceuticals and in the polymer and pesticide fields. In the aircraft cabin, decanal was produced in the presence of ozone from surface reactions with occupants and their clothing, consistent with the inference that occupants were responsible for the removal of >55% of the ozone in the aircraft cabin.
HUMAN EXPOSURE AND TOXICITY: Decanal was cytotoxic to Hela cells with IC50 less than 20 ug/mL.
ANIMAL STUDIES: Decanal demonstrated antifungal and bactericidal properties.
ECOTOXICITY STUDIES: Decanal did not significantly affect survival or hatching success of the brine shrimp Artemia salina.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
DECANAL is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
Receptors
Receptor REFERENCE EC50 [µM] Effective Concentration [µM]
OR1G1 details Activated
OR2W1 details Activated
OR52D1 details Activated
OR56A1 details Activated
OR56A4 details Activated
OR56A5 details Activated
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive
Experimental LCMS view LCMS_Positive positive