Compound Summary

General Compound Information

octanal

Description
Octanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.
Synonyms
Octanal;  124-13-0;  Caprylaldehyde;  Caprylic aldehyde;  n-Octanal;
FlavorDB ID
2540
PUBCHEM ID
454
Molecular Weight
128.21
Molecular Formula
C8H16O
Openeye Can Smiles
CCCCCCCC=O
IUPAC Inchikey
NUJGJRNETVAIRJ-UHFFFAOYSA-N
Similarity
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Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell soapy, citrus-like 8.580e-5 µmol/L details
smell citrus-like 6.927e-5 µmol/L details
smell citrus-like 6.927e-5 µmol/L wine details
smell citrus-like, green 2.652e-2 µmol/L details
smell citrus-like, green 5.382e-2 µmol/L details
smell citrus-like 2.652e-3 µmol/L chicken egg omlette details
smell citrus-like, green 2.652e-2 µmol/L orange juice details
smell citrusy, soapy 2.652e-2 µmol/L jackfruit pulp details
smell citrus-like, soap-like 2.652e-2 µmol/L cempedak details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: Octylaldehyde (Octanal) is a colorless liquid. It is employed in the perfume industry for the preparation of synthetic citrus oils and for the synthesis of alpha-hexylcinnamaldehyde.
HUMAN STUDIES: In vitro in human A549 cells octanal affects the expression of several chemokines and inflammatory cytokines and increases the levels of interleukin 6 (IL-6) and IL-8 released. Microarray analysis identified 15 miRNAs that were differentially expressed in octanal-exposed A549 human alveolar cells.
ANIMAL STUDIES: It induced a significant decrease in the number of live pups in rats but only at a dose which causes maternal toxicity. Octanal was tested in Salmonella typhimurium TA98, TA100, TA1535 and TA1537 with and without metabolic activation. No cytotoxic or genotoxic effects were observed.
ECOTOXICITY STUDIES: A membrane damage mechanism involving membrane peroxidation might contribute to the antifungal activity of octanal against P. digitatum spores. Aflatoxin production by the fungus Aspergillus parasiticus was stimulated by octanal.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
OCTANAL is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
Receptors
Receptor REFERENCE EC50 [µM] Effective Concentration [µM]
OR1A1 details Activated
OR1A2 details Activated
OR1G1 details Activated
OR2W1 details Activated
OR52D1 details Activated
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive
Experimental LCMS view LCMS_Positive positive