Octanoic acid (Standard)

CAT: 0804-HY-41417R-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-41417R-01Size:50 mg

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Description

Octanoic acid (Standard) is the analytical standard of Octanoic acid. This product is intended for research and analytical applications. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.

CAS Number

124-07-2

Product Name Alternative

Caprylic acid (Standard)

UNSPSC

12352211

Hazard Statement

H314, H412

Target

Endogenous Metabolite; Reference Standards

Type

Reference Standards

Related Pathways

Metabolic Enzyme/Protease; Others

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/octanoic-acid-standard.html

Purity

98.95

Smiles

CCCCCCCC(O)=O

Molecular Formula

C8H16O2

Molecular Weight

144.21

Precautions

H314, H412

Shipping Conditions

Room Temperature

Storage Conditions

4°C, sealed storage, away from light and moisture

Scientific Category

Reference Standards

Clinical Information

Phase 2

Isoform

Human Endogenous Metabolite

Chemical Information

Octanoic Acid

Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, an Escherichia coli metabolite and a human metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.

CAS Number	124-07-2
PubChem CID	379
IUPAC Name	octanoic acid
Molecular Formula	C8H16O2
Molecular Weight	144.21
XLogP	3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	89

SMILES

CCCCCCCC(=O)O

InChI

InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

InChIKey

WWZKQHOCKIZLMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 124-07-2

CID: 379

Formula: C8H16O2

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	89.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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