Heptacosane

Base Information

• Chemical Name: Heptacosane
• CAS No.: 593-49-7
• Molecular Formula: C27H56
• Molecular Weight: 380.742
• European Community (EC) Number: 209-792-4
• UNII: VP371W2GJS
• DSSTox Substance ID: DTXSID6058637
• Nikkaji Number: J452I
• Wikidata: Q151028
• Metabolomics Workbench ID: 5269
• Mol file: 593-49-7.mol

Synonyms:HEPTACOSANE;593-49-7;n-Heptacosane;UNII-VP371W2GJS;VP371W2GJS;EINECS 209-792-4;AI3-36283;C27H56;QSPL 047;QSPL 073;Heptacosane, analytical standard;DTXSID6058637;CHEBI:32941;HSDB 8357;CH3-[CH2]25-CH3;Heptacosane, >=98.0% (GC);LMFA11000574;MFCD00009862;AKOS016013111;n-Heptacosane 100 microg/mL in Hexane;CS-0314668;FT-0626891;H0017;C16045;Q151028;4557DE11-D8CE-461B-BBA4-5A5BBDA1A670

Chemical Property of Heptacosane

Chemical Property:

• Vapor Pressure: 6.06E-07mmHg at 25°C
• Melting Point: 58-60 °C(lit.)
• Boiling Point: 270 °C15 mm Hg(lit.)
• Flash Point: 270°C/15mm
• PSA: 0.00000
• Density: 0.802g/cm³
• LogP: 10.77870
• XLogP3: 14.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 24
• Exact Mass: 380.438201786
• Heavy Atom Count: 27
• Complexity: 208

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC

Technology Process of Heptacosane

There total 9 articles about Heptacosane 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: 29.0%

10,18-heptacosanedione → n-heptacosane (593-49-7)

Guidance literature:

10,18-heptacosanedione; With hydrazine hydrate; acetic acid; In octanol; at 140 - 150 ℃; for 9h;

With sodium octanolate; In octanol; for 24h; Heating;

DOI:10.1021/je0003501

Reference yield:

decane (124-18-5) → n-hexacosane (630-01-3) + n-heptacosane (593-49-7) + hentriacontane (630-04-6) + n-nonacosane (630-03-5) + n-tricosane (638-67-5) + tetracosane (646-31-1) + n-pentacosane (629-99-2) + octacosane (630-02-4) + n-triacontane (638-68-6) + n-dotriacontane (544-85-4)

Guidance literature:

With C₂₂H₄₁IrN₂O₂P₂; Re₂O₇/Al₂O₃; 1,3,5-trimethyl-benzene; at 175 ℃; for 168h; Inert atmosphere;

DOI:10.1002/adsc.200900539

Reference yield:

azelaic acid (123-99-9,26776-28-3) → n-heptacosane (593-49-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 96 percent / SOCl₂ / 24 h / 80 °C

2.1: Mg / diethyl ether

2.2: ZnCl₂ / diethyl ether / 0.33 h

2.3: 56 percent / benzene / 3 h / Heating

3.1: hydrazine monohydrate; glacial AcOH / octan-1-ol / 9 h / 140 - 150 °C

3.2: 29 percent / sodium octanolate / octan-1-ol / 24 h / Heating

With thionyl chloride; hydrazine hydrate; magnesium; acetic acid; In diethyl ether; octanol;

DOI:10.1021/je0003501

upstream raw materials:

13,14,14-trichloro-heptacosane

heptacosan-14-one

hydrogenchloride

azelaic acid

Refernces

• 1、 Chevallier, Virginie,Bouroukba, Mohammed,Petitjean, Dominique,Barth, Danielle,Dupuis, Paul,Dirand, Michel. "Temperatures and enthalpies of solid-solid and melting transitions of the odd-numbered n-alkanes C21, C23, C25, C27, and C29". . p. 1114 - 1122. Retrieved 2007/10/03.