638-54-0

Basic information

• Product Name: octanedial
• Synonyms: octanedial;1,6-Hexanedicarbaldehyde;Octadinal;Suberic aldehyde
• CAS NO: 638-54-0
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.19556
• EINECS: 211-342-7
• Mol File: 638-54-0.mol
• Article Data: 72

Chemical Properties

• Boiling Point: 199.78°C (rough estimate)
• Flash Point: 81 °C
• Appearance: /
• Density: 0.9695 (rough estimate)
• Vapor Pressure: 0.0942mmHg at 25°C
• Refractive Index: 1.4439 (estimate)
• CAS DataBase Reference: octanedial(CAS DataBase Reference)
• NIST Chemistry Reference: octanedial(638-54-0)
• EPA Substance Registry System: octanedial(638-54-0)

Safety Data

• Hazardous Substances Data: 638-54-0(Hazardous Substances Data)

Usage

Description

Octanedial, also known as 1,8-octanedial, is a colorless liquid chemical compound with the formula C8H14O2. It is characterized by a pungent, fruity odor and is found in natural food sources such as black tea, coffee, peach, and beer. Primarily used as a flavoring agent in the food industry, Octanedial also serves as a chemical intermediate in the production of pharmaceuticals and other organic compounds. While considered relatively safe for use in food and consumer products, it requires careful handling to prevent skin and eye irritation.

Uses

Used in Food Industry:
Octanedial is used as a flavoring agent for its distinctive pungent, fruity odor, enhancing the taste and aroma of various food products.
Used in Pharmaceutical Production:
Octanedial is utilized as a chemical intermediate in the synthesis of pharmaceuticals, contributing to the development of new medications and therapeutic agents.
Used in Organic Compound Synthesis:
As a versatile chemical intermediate, Octanedial is employed in the production of various organic compounds, expanding its applications across different industries.

InChI:InChI=1/C8H14O2/c9-7-5-3-1-2-4-6-8-10/h7-8H,1-6H2

Upstream product

• 41726-59-4 1,8-dithio-octanedioic acid S,S'-diethyl ester 
• 10027-07-3 suberoyl chloride 
• 931-88-4 cis-Cyclooctene 
• 2426-07-5 1,2,7,8-diepoxyoctane 
• 629-41-4 1,8-Octanediol 
• 27607-33-6 (1R,2S)-Cyclooctane-1,2-diol 
• 931-89-5 (E)-cyclooctene 
• 5762-21-0 2,9-dihydroxy-decanedioic acid 
• 127-09-3 sodium acetate 
• 108-24-7 acetic anhydride 
• 871-84-1 1,7-Octadiyne 
• 42565-22-0 trans-1,2-cyclooctanediol 
• 108268-29-7 (1R,2R)-cyclooctane-1,2-diol 
• 931-88-4 1,2-cyclooctene 

Downstream Products

• 27607-33-6 (1R,2S)-Cyclooctane-1,2-diol 
• 42565-22-0 trans-1,2-cyclooctanediol 
• 629-41-4 1,8-Octanediol 
• 505-48-6 octane-1,8-dioic acid 
• 929-48-6 7-formylheptanoic acid 
• 373-44-4 1,8-diaminooctan 
• 1607458-08-1 (E)-benzyl 10-oxodec-2-enoate 
• 1092960-47-8 C₃₂H₃₄N₈ 
• 139680-54-9 1,2-bis(dimethoxymethyl)cyclohexane 
• 1871-96-1 sebaconitrile 
• 127660-90-6 N-(Cycloheptylmethyl)-N-phenylamine 
• 76367-74-3 1,1,8,8-tetrakis(5-((benzyloxy)carbonyl)-4-ethyl-3-methylpyrrol-2-yl)octane 
• 62619-81-2 hexadecane-2,5,12,15-tetraone 
• 1460-16-8 cycloheptanoic acid 

Relevant articles and documents

Production of Hydroxy Acids: Selective Double Oxidation of Diols by Flavoprotein Alcohol Oxidase

Flavoprotein oxidases can catalyze oxidations of alcohols and amines by merely using molecular oxygen as the oxidant, making this class of enzymes appealing for biocatalysis. The FAD-containing (FAD=flavin adenine dinucleotide) alcohol oxidase from P. chrysosporium facilitated double and triple oxidations for a range of aliphatic diols. Interestingly, depending on the diol substrate, these reactions result in formation of either lactones or hydroxy acids. For example, diethylene glycol could be selectively and fully converted into 2-(2-hydroxyethoxy)acetic acid. Such a facile cofactor-independent biocatalytic route towards hydroxy acids opens up new avenues for the preparation of polyester building blocks.

Cis -Oxoruthenium complexes supported by chiral tetradentate amine (N4) ligands for hydrocarbon oxidations

We report the first examples of ruthenium complexes cis-[(N4)RuIIICl2]+ and cis-[(N4)RuII(OH2)2]2+ supported by chiral tetradentate amine ligands (N4), together with a high-valent cis-dioxo complex cis-[(N4)RuVI(O)2]2+ supported by the chiral N4 ligand mcp (mcp = N,N′-dimethyl-N,N′-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine). The X-ray crystal structures of cis-[(mcp)RuIIICl2](ClO4) (1a), cis-[(Me2mcp)RuIIICl2]ClO4 (2a) and cis-[(pdp)RuIIICl2](ClO4) (3a) (Me2mcp = N,N′-dimethyl-N,N′-bis((6-methylpyridin-2-yl)methyl)cyclohexane-1,2-diamine, pdp = 1,1′-bis(pyridin-2-ylmethyl)-2,2′-bipyrrolidine)) show that the ligands coordinate to the ruthenium centre in a cis-α configuration. In aqueous solutions, proton-coupled electron-transfer redox couples were observed for cis-[(mcp)RuIII(O2CCF3)2]ClO4 (1b) and cis-[(pdp)RuIII(O3SCF3)2]CF3SO3 (3c′). Electrochemical analyses showed that the chemically/electrochemically generated cis-[(mcp)RuVI(O)2]2+ and cis-[(pdp)RuVI(O)2]2+ complexes are strong oxidants with E° = 1.11-1.13 V vs. SCE (at pH 1) and strong H-atom abstractors with DO-H = 90.1-90.8 kcal mol-1. The reaction of 1b or its (R,R)-mcp counterpart with excess (NH4)2[CeIV(NO3)6] (CAN) in aqueous medium afforded cis-[(mcp)RuVI(O)2](ClO4)2 (1e) or cis-[((R,R)-mcp)RuVI(O)2](ClO4)2 (1e?), respectively, a strong oxidant with E(RuVI/V) = 0.78 V (vs. Ag/AgNO3) in acetonitrile solution. Complex 1e oxidized various hydrocarbons, including cyclohexane, in acetonitrile at room temperature, affording alcohols and/or ketones in up to 66% yield. Stoichiometric oxidations of alkenes by 1e or 1e? in tBuOH/H2O (5:1 v/v) afforded diols and aldehydes in combined yields of up to 98%, with moderate enantioselectivity obtained for the reaction using 1e?. The cis-[(pdp)RuII(OH2)2]2+ (3c)-catalysed oxidation of saturated C-H bonds, including those of ethane and propane, with CAN as terminal oxidant was also demonstrated.