2-Octyldecanoic acid

Base Information

• Chemical Name: 2-Octyldecanoic acid
• CAS No.: 619-39-6
• Molecular Formula: C18H36O2
• Molecular Weight: 284.483
• Hs Code.: 2915900090
• European Community (EC) Number: 210-594-5
• DSSTox Substance ID: DTXSID2060701
• Nikkaji Number: J136.502I
• Wikidata: Q81989162
• Mol file: 619-39-6.mol

Synonyms:2-Octyldecanoic acid;619-39-6;Decanoic acid, 2-octyl-;EINECS 210-594-5;Dioctylacetic acid;2-Octydecanoic acid;2-octyl decanoic acid;2-octyl-decanoic acid;SCHEMBL987456;DTXSID2060701;MFCD00506623;AKOS024274097;AS-76909;BP-26118;CS-0237592;D93529;EN300-18560185;Z3243663026

Chemical Property of 2-Octyldecanoic acid

Chemical Property:

• Vapor Pressure: 1.52E-07mmHg at 25°C
• Melting Point: 38.5°C
• Refractive Index: 1.4430 (estimate)
• Boiling Point: 400.8°C at 760 mmHg
• Flash Point: 225.6°C
• PSA: 37.30000
• Density: 0.887g/cm³
• LogP: 6.18840
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

2-OCTYLDECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC(CCCCCCCC)C(=O)O

Technology Process of 2-Octyldecanoic acid

There total 14 articles about 2-Octyldecanoic 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: 86.0%

2,2-dioctylmalonic acid diethyl ester (24251-93-2) → 2-octyldecanoic acid (619-39-6)

Guidance literature:

2,2-dioctylmalonic acid diethyl ester; With water; potassium hydroxide; In ethanol; for 20h; Reflux;

With hydrogenchloride; In ethanol; water;

Reference yield: 74.0%

1-Iodooctane (629-27-6) + 1-decanoic acid (334-48-5) → 2-octyldecanoic acid (619-39-6)

Guidance literature:

1-decanoic acid; With sodium hydride; lithium diisopropyl amide; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

1-Iodooctane; In tetrahydrofuran; mineral oil; at 45 ℃; for 6h; Inert atmosphere;

DOI:10.1021/jm3016443

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + acetic anhydride (108-24-7) + acetic acid (64-19-7,77671-22-8) → 5-hexyldihydro-2(3H)-furanone (706-14-9,2825-92-5) + (3E)-dec-3-enoic acid (2430-93-5,15469-77-9,53678-20-9) + (E)-4-decenoic acid (57602-94-5) + 1-decanoic acid (334-48-5) + 2-octyldecanoic acid (619-39-6) + 4-Acetoxy-decanoic acid (1071156-77-8)

Guidance literature:

With manganese triacetate; at 100 ℃; for 2h; Product distribution; effect of oxidant and alkene concentration, temperature and KOAc on the oxidation;

upstream raw materials:

acetic acid tert-butyl ester

1-bromo-octane

oct-1-ene

capric anhydride

Downstream raw materials:

2-octyl-1-decanol

6,6'-bis-O-(2-octyldecanoyl)-2,3,4,2',3',4'-hexabenzyl-α,α'-trehalose

Refernces

• 1、 -. "POLYNUCLEOTIDES ENCODING COAGULATION FACTOR VIII". Paragraph 1187; 1209; 1210. . Retrieved 2020/09/09.
• 2、 -. "COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS". Paragraph 00407. . Retrieved 2017/04/11.