Octacosane-d58

Base Information

• Chemical Name: Octacosane-d58
• CAS No.: 16416-33-4
• Molecular Formula: C₂₈H₅₈
• Molecular Weight: 452.308
• DSSTox Substance ID: DTXSID20584059
• Wikidata: Q82475689
• Mol file: 16416-33-4.mol

Synonyms:Octacosane-d58;16416-33-4;N-OCTACOSANE-D58;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,28-octapentacontadeuteriooctacosane;(~2~H_58_)Octacosane;DTXSID20584059;Octacosane-d58, 98 atom % D;HY-W272217S;CS-0567915;D98697;J-010119;Octacosane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,28-d58

Chemical Property of Octacosane-d58

Chemical Property:

• Vapor Pressure: 2.96E-07mmHg at 25°C
• Melting Point: 61-63 °C(lit.)
• Refractive Index: 1.449
• Boiling Point: 431.7 °C at 760 mmHg
• Flash Point: 280.1 °C
• PSA: 0.00000
• Density: 0.923 g/cm³
• LogP: 11.16880
• XLogP3: 14.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 25
• Exact Mass: 452.817903115
• Heavy Atom Count: 28
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

n-Octacosane-d58 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• Uses: n-Octacosane-d58 (CAS# 16416-33-4) is a useful isotopically labeled research compound.

Technology Process of Octacosane-d58

There total 1 articles about Octacosane-d58 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:

octacosane (630-02-4) → octacosane-d58 (16416-33-4)

Guidance literature:

With 5% rhodium-on-charcoal; hydrogen; water-d2; at 160 ℃; for 12h;

DOI:10.1002/anie.200800941

upstream raw materials:

octacosane

Refernces