2-Decyltetradecanoic acid

Base Information

• Chemical Name: 2-Decyltetradecanoic acid
• CAS No.: 93778-52-0
• Deprecated CAS: 127967-41-3
• Molecular Formula: C24H48O2
• Molecular Weight: 368.644
• European Community (EC) Number: 298-190-5
• UNII: P5LU6V163K
• DSSTox Substance ID: DTXSID40888723
• Nikkaji Number: J348.751B
• Wikidata: Q27286233
• Mol file: 93778-52-0.mol

Synonyms:2-Decyltetradecanoic acid;decyltetradecanoic acid;Tetradecanoic acid, 2-decyl-;93778-52-0;UNII-P5LU6V163K;P5LU6V163K;EINECS 298-190-5;ISOCARB 24 ACID;Tetradecanoic acid,2-decyl-;SCHEMBL327585;DTXSID40888723;DECYLTETRADECANOIC ACID [INCI];(+/-)- 2-DECYLTETRADECANOIC ACID;2-DECYLTETRADECANOIC ACID, (+/-)-;Q27286233

Chemical Property of 2-Decyltetradecanoic acid

Chemical Property:

• Vapor Pressure: 1.16E-10mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 483.2 °C at 760 mmHg
• Flash Point: 274.7 °C
• PSA: 37.30000
• Density: 0.878g/cm³
• LogP: 8.52900
• Water Solubility.: 12ng/L at 25℃
• XLogP3: 10.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 368.365430770
• Heavy Atom Count: 26
• Complexity: 288

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(CCCCCCCCCC)C(=O)O

Technology Process of 2-Decyltetradecanoic acid

There total 3 articles about 2-Decyltetradecanoic 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: 92.3%

2-decylteradecanol (58670-89-6) → 2-decyltetradecanoic acid (93778-52-0)

Guidance literature:

With Jones reagent; In acetone; at 0 ℃;

DOI:10.1039/c6cc01517d

Reference yield:

decyl-dodecyl-malonic acid diethyl ester → 2-decyltetradecanoic acid (93778-52-0)

Guidance literature:

With potassium hydroxide; Erhitzen der freien Saeure unter vermindertem Druck auf 100grad bis 105grad;

Reference yield:

1-dodecylbromide (143-15-7) → 2-decyltetradecanoic acid (93778-52-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide; ethanol

2: alcoholic KOH / Erhitzen der freien Saeure unter vermindertem Druck auf 100grad bis 105grad

With potassium hydroxide; ethanol; sodium iodide;

upstream raw materials:

1-dodecylbromide

2-decylteradecanol

Downstream raw materials:

5-(2′-decyltetradecanamido)isophthalic acid

3,5-bis(2-decyltetradecanoylamino)benzoic acid

Refernces