2-Octyldodecanoic acid

Base Information

• Chemical Name: 2-Octyldodecanoic acid
• CAS No.: 40596-46-1
• Molecular Formula: C20H40O2
• Molecular Weight: 312.536
• Hs Code.: 2915900090
• European Community (EC) Number: 254-992-7
• DSSTox Substance ID: DTXSID60885810
• Nikkaji Number: J294.713G
• Mol file: 40596-46-1.mol

Synonyms:2-Octyldodecanoic acid;40596-46-1;Dodecanoic acid, 2-octyl-;2-Octyllauric acid;EINECS 254-992-7;2-Octyldodecanoic acid #;2-octyl-1-dodecanoic acid;SCHEMBL246712;DTXSID60885810

Chemical Property of 2-Octyldodecanoic acid

Chemical Property:

• Vapor Pressure: 1.41E-08mmHg at 25°C
• Refractive Index: 1.456
• Boiling Point: 429.4 °C at 760 mmHg
• Flash Point: 243 °C
• PSA: 37.30000
• Density: 0.883 g/cm³
• LogP: 6.96860
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 312.302830514
• Heavy Atom Count: 22
• Complexity: 238

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Octyldodecanoic acid

There total 5 articles about 2-Octyldodecanoic 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: 99.0%

2-octyldodecan-1-ol (5333-42-6,8039-11-0) → 2-octyl-dodecanoic acid (40596-46-1)

Guidance literature:

With periodic acid; pyridinium chlorochromate; In acetonitrile; at 0 ℃;

DOI:10.1002/pola.26471

Reference yield:

2-octyldodecan-1-ol (5333-42-6,8039-11-0) → 2-octyldodecanoyl chloride (86218-06-6) + 2-octyl-dodecanoic acid (40596-46-1)

Guidance literature:

Reference yield:

1-Decanol (112-30-1) + 1-decanoic acid (334-48-5) → 2-octyl-dodecanoic acid (40596-46-1)

Guidance literature:

upstream raw materials:

1-bromo-octane

2-octyldodecan-1-ol

1-Decanol

1-decanoic acid

Downstream raw materials:

N,N'-(1,4-phenylene)bis(2-octyldodecanamide)

1,5-bis(2-octyldodecyl)-3,7-bis-phenylsulfanyl-5,7-dihydro-1H,3H-pyrrolo[2,3-f]ondol-2,6-dione

N,N'-(1,4-phenylene)bis(2-hydroxy-N-(2-octyldodecyl)acetamide)

N₁,N₄-bis(2-octyldodecyl)benzene-1,4-diamine

Refernces

• 1、 Fallon, Kealan J.,Budden, Peter,Salvadori, Enrico,Ganose, Alex M.,Savory, Christopher N.,Eyre, Lissa,Dowland, Simon,Ai, Qianxiang,Goodlett, Stephen,Risko, Chad,Scanlon, David O.,Kay, Christopher W. M.,Rao, Akshay,Friend, Richard H.,Musser, Andrew J.,Bronstein, Hugo. "Exploiting excited-state aromaticity to design highly stable singlet fission materials". supporting information. p. 13867 - 13876. Retrieved 2019/09/30.
• 2、 -. "NOVEL ESTERS, AND USE THEREOF". . . Retrieved 2012/05/04.