Octane, 4-propyl-

Base Information

• Chemical Name: Octane, 4-propyl-
• CAS No.: 17302-13-5
• Molecular Formula: C₁₁H₂₄
• Molecular Weight: 156.312
• NSC Number: 174948
• DSSTox Substance ID: DTXSID30306289
• Wikidata: Q82053313
• Mol file: 17302-13-5.mol

Synonyms:Octane, 4-propyl-;4-propyl-octane;17302-13-5;4-Propyloctane;4-n-Propyloctane;NSC174948;DTXSID30306289;VFAMBAFLNKONTN-UHFFFAOYSA-N;NSC-174948

Chemical Property of Octane, 4-propyl-

Chemical Property:

• Vapor Pressure: 1.15mmHg at 25°C
• Boiling Point: 181.6°Cat760mmHg
• Flash Point: 46.3°C
• Density: 0.742g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 156.187800766
• Heavy Atom Count: 11
• Complexity: 60.4

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCC)CCC

Technology Process of Octane, 4-propyl-

There total 4 articles about Octane, 4-propyl- 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:

4-iodoheptane (31294-93-6) + butyl magnesium bromide (693-04-9) → 4-Propyl-octan (17302-13-5)

Guidance literature:

With copper(l) iodide; buta-1,3-diene; In tetrahydrofuran; at -78 - 0 ℃;

DOI:10.1039/c2cc34847k

Reference yield:

5-propyl-octa-1,5-dien-3-yne (70732-44-4) → 4-Propyl-octan (17302-13-5)

Guidance literature:

With platinum(IV) oxide; acetic acid; Hydrogenation;

Reference yield:

n-butyl magnesium bromide (693-03-8) + 4-heptanone (123-19-3) → 4-Propyl-octan (17302-13-5)

Guidance literature:

With diethyl ether; Beim Erhitzen des Reaktionsprodukts mit Naphthalin-2-sulfonsaeure und Hydrieren des erhaltenen Olefin-Gemisches an Raney-Nickel bei 120-180grad/120- 150 at;

upstream raw materials:

n-butyl magnesium bromide

4-heptanone

5-propyl-octa-1,5-dien-3-yne

acetic acid

Refernces