Hexacosanoic acid

Base Information

• Chemical Name: Hexacosanoic acid
• CAS No.: 506-46-7
• Molecular Formula: C26H52 O2
• Molecular Weight: 396.698
• Hs Code.: 2915900090
• European Community (EC) Number: 208-040-2
• NSC Number: 4205
• UNII: D42CQN6P36
• DSSTox Substance ID: DTXSID7075050
• Nikkaji Number: J95.914F
• Wikipedia: Cerotic_acid
• Wikidata: Q903348
• Metabolomics Workbench ID: 47
• ChEMBL ID: CHEMBL464787
• Mol file: 506-46-7.mol

Synonyms:cerotate;cerotic acid;hexacosanoic acid

Chemical Property of Hexacosanoic acid

Chemical Property:

• Appearance/Colour: white shiny fluffy or crystalline powder
• Vapor Pressure: 9.26E-08mmHg at 25°C
• Melting Point: 86-87 °C
• Refractive Index: 1.4301
• Boiling Point: 250 °C
• PKA: 4.78±0.10(Predicted)
• Flash Point: 187.6°C
• PSA: 37.30000
• Density: 0.876g/cm³
• LogP: 9.45330
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Heated), Hexanes (Slightly, Heated)
• XLogP3: 11.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 396.396730897
• Heavy Atom Count: 28
• Complexity: 301

Purity/Quality:

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

Hexacosanoic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Lipids -> Unambiguous Lipids,Other Classes -> Organic Acids
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Uses: Hexacosanoic acid may be used as a reference standard for the determination of hexacosanoic acid in human serum and plasma samples for the screening of peroxisomal disorders by gas chromatography-mass spectrometry (GC-MS) operating under selected-ion monitoring (SIM) modein biological samples by GC-MSin microalgal lipids by solid-phase extraction (SPE) followed by GC-MS analysisas a naphthoxyethyl derivative by high performance liquid chromatography (HPLC) coupled with fluorometric detection

Technology Process of Hexacosanoic acid

There total 27 articles about Hexacosanoic acid 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:

→ 1-hexacosanoic acid (506-46-7)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol;

Reference yield:

→ 1-hexacosanoic acid (506-46-7)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol;

Reference yield:

methyl 11-iodoundecanoate (929-33-9) → 1-hexacosanoic acid (506-46-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pentan-2-one; potassium carbonate / Behandeln des Reaktionsprodukts in Benzol mit wss.-methanol. Kalilauge

2: hydrazine hydrate; potassium hydroxide; triethylene glycol / 200 °C

With potassium hydroxide; potassium carbonate; hydrazine hydrate; 2-Pentanone; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol;

upstream raw materials:

hexacos-17c-enoic acid

hexacosyl alcohol

E-hexacos-9-enoic acid

10-oxo-hexacosanoic acid

Downstream raw materials:

Hexacosanoic acid ((1S,2S,3R)-2,3-bis-benzyloxy-1-benzyloxymethyl-heptadecyl)-amide

hexacosanoyl chloride

N-((S)-1-((4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl)-2-((1S,2S,3S,4S,5R)-2,3,4-tris(benzyloxy)-5-(benzyloxymethyl)cyclohexylamino)ethyl)cerotamide

N-((S)-1-((4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl)-2-((1S,2S,3S,4S,5S,6R)-2,3,4-tris(benzyloxy)-5-(benzyloxymethyl)-6-hydroxycyclohexylamino)ethyl)cerotamide

Refernces

• 1、 Garcia Diaz, Yoel R.,Wojno, Justyna,Cox, Liam R.,Besra, Gurdyal S.. "Synthesis of threitol ceramide and [14C]threitol ceramide, non-glycosidic analogues of the potent CD1d antigen α-galactosyl ceramide". experimental part. p. 747 - 753. Retrieved 2009/09/25.
• 2、 Mehta,Jain, Preeti,Kotra, Shrilakshmi. "Identification of novel aliphatic compounds from Artabotrys odoratissimus (leaves)". . p. 1304 - 1306. Retrieved 2007/10/03.