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Octanal (Standard)

CAT: 0804-HY-N8015R-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8015R-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Octanal (Standard) is the analytical standard of Octanal. This product is intended for research and analytical applications. Octanal is a fragrant aldehyde with antioxidant and antibacterial activity. Its antifungal effect against G. citri-aurantii may be related to the disruption of cell membrane integrity and the leakage of cellular components. Additionally, Octanal exhibits cytotoxicity towards HeLa cells, with an IC50 value of 3.5 μg/mL[1][2].
CAS Number
124-13-0
UNSPSC
12352211
Target
Bacterial; Endogenous Metabolite; Fungal; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Metabolic Enzyme/Protease; Others
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/octanal-standard.html
Smiles
CCCCCCCC=O
Molecular Formula
C8H16O
Molecular Weight
128.21
References & Citations
[1]Kehai Liu, et al. Isolation and biological activities of decanal, linalool, valencene, and octanal from sweet orange oil. J Food Sci. 2012 Nov;77 (11) :C1156-61.|[2]Haien Zhou, et al. "Antifungal activity of citral, octanal and α-terpineol against Geotrichum citri-aurantii." Food Control 37 (2014) : 277-283.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Octanal

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 n-alkanal, a saturated fatty aldehyde and a medium-chain fatty aldehyde.

CAS Number124-13-0
PubChem CID454
IUPAC Nameoctanal
Molecular FormulaC8H16O
Molecular Weight128.21
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity59
SMILES
CCCCCCCC=O
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKey
NUJGJRNETVAIRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanal
CAS: 124-13-0
CID: 454
Formula: C8H16O
MW: 128.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.21
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass128.120115130
Monoisotopic Mass128.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity59.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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