Docosanoic acid

Base Information

• Chemical Name: Docosanoic acid
• CAS No.: 112-85-6
• Molecular Formula: C22H44O2
• Molecular Weight: 340.59
• Hs Code.: 3823.11 DERIVATION
• European Community (EC) Number: 204-010-8
• NSC Number: 32364
• UNII: H390488X0A
• DSSTox Substance ID: DTXSID3026930
• Nikkaji Number: J2.461I
• Wikipedia: Behenic_acid
• Wikidata: Q422590
• NCI Thesaurus Code: C68322
• RXCUI: 1368203
• Metabolomics Workbench ID: 43
• ChEMBL ID: CHEMBL1173474
• Mol file: 112-85-6.mol

Synonyms:behenic acid;behenic acid, aluminum salt;behenic acid, barium salt;behenic acid, cadmium salt;behenic acid, ferrium (+3) salt;behenic acid, lithium salt;behenic acid, potassium salt;behenic acid, silver (+1) salt;behenic acid, sodium salt;behenic acid, zinc salt;docosanoic acid

Chemical Property of Docosanoic acid

Chemical Property:

• Appearance/Colour: white to cream crystals or powder
• Vapor Pressure: 7.66E-07mmHg at 25°C
• Melting Point: 72-80 °C(lit.)
• Refractive Index: 1.458
• Boiling Point: 391.8 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 176.3 °C
• PSA: 37.30000
• Density: 0.881 g/cm³
• LogP: 7.89290
• Storage Temp.: 2-8°C
• Solubility.: chloroform: soluble50mg/mL, clear
• Water Solubility.: Soluble in DMF (~3 mg/ml), hot methanol, water (0.15 mg/ml at 25°C), chloroform, and ethanol (2.18 mg/ml at 25°C).
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 340.334130642
• Heavy Atom Count: 24
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Behenic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 36/37/38:
• Hazard Codes: 36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Lipids -> Unambiguous Lipids,Other Classes -> Organic Acids
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O
• Uses: Docosanoic acid is a long-chain fatty acid,it has the following purposes: Waxes, textiles, pharmaceuticals, emulsifiers, and personal care products, lubricants, esters, chemical synthesis, and specialties. behenic acid is a long-chain fatty acid used in product formulations to form a viscous emulsion. It is considered a non-comedogenic raw material. Behenic acid is used to give hair conditioners and moisturizers their smoothing properties. It is also used to investigate the phase behavior of long-chain acids in supercritical propane.

Technology Process of Docosanoic acid

There total 57 articles about Docosanoic 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: 97.5%

linoleic acid (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) → n-docosanoic acid (112-85-6)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4h;

DOI:10.1021/op300115r

Reference yield: 90.3%

cis-13-docosenoic acid (112-86-7) → n-docosanoic acid (112-85-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 20 - 30 ℃; under 4500.45 - 6000.6 Torr;

Reference yield: 86.0%

6-docosenoic acid (116802-23-4) → n-docosanoic acid (112-85-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 6h;

upstream raw materials:

(Z)-docos-11-enoic acid

cis-13-docosenoic acid

Brassidic acid

n-triacontane

Downstream raw materials:

behenic acid methyl ester

docosanoyl chloride

ethyl docosanoate

1-(2,3,4-trihydroxy-phenyl)-docosan-1-one

Refernces

• 1、 Bohlmann, F.,Zdero, C.,King, R. M.,Robinson, H.. "THIRTEEN KOLAVENE DERIVATIVES FROM SYMPHYOPAPPUS SPECIES". . p. 1657 - 1664. Retrieved 1981.
• 2、 Granacher,Schaufelberger. "". . p. 392. Retrieved 1922.
• 3、 Yokoyama,Sunohara,Fujie. "The temperature-respondent release behavior of a new crystalline complex, docosanoic acid-nicotinamide". . p. 2576 - 2578. Retrieved 1992.
• 4、 Zhang, Hong-Yan,Yamakawa, Yu-Ichiro,Matsuya, Yuji,Toyooka, Naoki,Tohda, Chihiro,Awale, Suresh,Li, Feng,Kadota, Shigetoshi,Tezuka, Yasuhiro. "Synthesis of long-chain fatty acid derivatives as a novel anti-Alzheimer's agent". . p. 604 - 608. Retrieved 2014/01/23.