Stearic acid-2,2-d2

Base Information

• Chemical Name: Stearic acid-2,2-d2
• CAS No.: 19905-58-9
• Molecular Formula: C₁₈H₃₆O₂
• Molecular Weight: 286.467
• European Community (EC) Number: 693-223-3
• DSSTox Substance ID: DTXSID00492800
• Wikidata: Q82338974
• Mol file: 19905-58-9.mol

Synonyms:19905-58-9;Stearic acid-2,2-d2;Stearic acid-d2;Octadecanoic acid-2,2-d2;OCTADECANOIC-2,2-D2 ACID;2,2-dideuteriooctadecanoic acid;(2,2-~2~H_2_)Octadecanoic acid;2,2-dideuterostearic acid;(2,2-?H?)octadecanoic acid;SCHEMBL1331453;Octadecanoic-2,2-d2acid(9ci);DTXSID00492800;HY-B2219S1;AKOS015910670;Stearic acid-2,2-d2, 98 atom % D;CS-0203816;D98946;J-012859

Chemical Property of Stearic acid-2,2-d2

Chemical Property:

• Vapor Pressure: 8.58E-06mmHg at 25°C
• Melting Point: 68-70 °C
• Refractive Index: 1.455
• Boiling Point: 359.4 °C at 760 mmHg
• Flash Point: 162.4 °C
• PSA: 37.30000
• Density: 0.894 g/cm³
• LogP: 6.33250
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 286.284083879
• Heavy Atom Count: 20
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

Stearic acid-2,2-d2 98 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O
• Isomeric SMILES: [2H]C([2H])(CCCCCCCCCCCCCCCC)C(=O)O
• Uses: Octadecanoic-2,2-d2 Acid (CAS# 19905-58-9) is a useful isotopically labeled research compound.

Technology Process of Stearic acid-2,2-d2

There total 3 articles about Stearic acid-2,2-d2 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:

sodium stearate (822-16-2) → 2,2-d2-stearic acid (19905-58-9)

Guidance literature:

With deuteriated sodium hydroxide; In water-d2; at 200 ℃;

Reference yield:

Methyl stearate (112-61-8) → 2,2-d2-stearic acid (19905-58-9)

Guidance literature:

With deuteromethanol; sodium; Multistep reaction; 1.) reflux, 15 h, 2.) D₂O, reflux, 2 h;

DOI:10.1002/oms.1210230803

Reference yield:

→ 2,2-d2-stearic acid (19905-58-9)

Guidance literature:

Natrium-octadecanoat, D2O, NaOD, Deuterium-reduziertes Pt (200grad);

upstream raw materials:

Methyl stearate

sodium stearate

Downstream raw materials:

17β-estradiol-17-<2',2'-D2>stearate

Refernces

• 1、 Debrauwer, Laurent,Paris, Alain,Rao, Dinesh,Fournier, Francoise,Tabet, Jean-Claude. "Mass Spectrometric Studies on 17β-Estradiol-17-fatty Acid Esters: Evidence for the Formation of Anion-Dipole Intermediates". . p. 709 - 719. Retrieved 2007/10/02.