Oct-2-enal

Base Information

• Chemical Name: Oct-2-enal
• CAS No.: 2363-89-5
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.199
• European Community (EC) Number: 219-115-4
• DSSTox Substance ID: DTXSID0062349
• Wikidata: Q27131344
• Mol file: 2363-89-5.mol

Synonyms:oct-2-enal;2-(E)-octenal;oct-(e)-2-enal;Oct-2(E)-enal;oct-2-en-1-al;(2E)-oct-2-enal;CHEBI:61725;n-Oct-2-enal;Epitope ID:143639;DTXSID0062349;AKOS025243624;FT-0659050;FT-0696513;Q27131344

Chemical Property of Oct-2-enal

Chemical Property:

• Vapor Pressure: 0.552mmHg at 25°C
• Refractive Index: 1.432
• Boiling Point: 190.1 °C at 760 mmHg
• Flash Point: 68.4 °C
• PSA: 17.07000
• Density: 0.832 g/cm³
• LogP: 2.32180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC=O
• Description: 2-Octenal has a peculiar green-leafy odor which is less fatty than octanal with an orange, honey-like, cognac-like aroma. 2-Octenal may be prepared by prolonged heating of a solution of heptanal and formaldehyde in the presence of dimethylamino hydrochloride; by boiling 4,5-diketo-3-pentyltetrahydrofuran under a nitrogen blanket.

Technology Process of Oct-2-enal

There total 50 articles about Oct-2-enal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.1%

1,1-diethoxy-oct-2c-ene (16387-56-7) → 2-octen-1-al (2548-87-0,20664-46-4,2363-89-5)

Guidance literature:

With toluene-4-sulfonic acid; In water; acetone; at 0 ℃; for 0.25h;

DOI:10.1021/jo00363a043

Reference yield: 93.0%

2-octenol (22104-78-5) → 2-octen-1-al (2548-87-0,20664-46-4,2363-89-5)

Guidance literature:

With 2-Picolinic acid; sodium nitrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; manganese (II) nitrate tetrahydrate; acetic acid; at 25 ℃; for 3h;

DOI:10.1002/cctc.201800438

Reference yield: 85.0%

1-Octyn-3-ol (818-72-4,37911-28-7) → 2-octen-1-al (2548-87-0,20664-46-4,2363-89-5)

Guidance literature:

With water; chlorocyclopentadienylbis(trimethylphosphine)ruthenium(II); In isopropyl alcohol; at 100 ℃; for 12h;

DOI:10.1016/S0040-4039(02)01821-X

upstream raw materials:

2-methyl-2-decen-5-ol

1,1,3-triethoxy-octane

2-(1-hepten-1-yl)-1,3-dioxolane

1,1-diethoxy-oct-2c-ene

Downstream raw materials:

ethyl 2,4-decadienoate

hexanoic acid

Octanal

octanol