Dodecyl cyclohexanecarboxylate

Base Information

• Chemical Name: Dodecyl cyclohexanecarboxylate
• CAS No.: 94107-45-6
• Molecular Formula: C19H36 O2
• Molecular Weight: 296.494
• Hs Code.: 2916209090
• European Community (EC) Number: 302-279-7
• UNII: Z44C9Q627X
• DSSTox Substance ID: DTXSID50240530
• Nikkaji Number: J318.674A
• Wikidata: Q83123442
• Mol file: 94107-45-6.mol

Synonyms:Dodecyl cyclohexanecarboxylate;Z44C9Q627X;EINECS 302-279-7;94107-45-6;UNII-Z44C9Q627X;cyclohexanecarboxylic acid dodecyl ester;Cyclohexanecarboxylic acid, dodecyl ester;n-Dodecyl cyclohexanecarboxylate;Dodecyl cyclohexanecarboxylate #;DTXSID50240530;Cyclohexanecarboxylic acid lauryl ester

Chemical Property of Dodecyl cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 3.58E-05mmHg at 25°C
• Boiling Point: 353.5°Cat760mmHg
• Flash Point: 151.6°C
• PSA: 26.30000
• Density: 0.91g/cm³
• LogP: 6.03080
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 296.271530387
• Heavy Atom Count: 21
• Complexity: 244

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC(=O)C1CCCCC1

Technology Process of Dodecyl cyclohexanecarboxylate

There total 3 articles about Dodecyl cyclohexanecarboxylate 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: 90.0%

1-dodecyl alcohol (112-53-8) + Cyclohexanecarboxylic acid (98-89-5) → 1-dodecyl cyclohexanecarboxylate (94107-45-6)

Guidance literature:

With dodecylbenzene-sulphonic acid; In water; at 40 ℃; for 48h;

DOI:10.1021/ja026241j

Reference yield: 86.0%

1-dodecyl alcohol (112-53-8) + cyclohexane (110-82-7,25012-93-5) + carbon monoxide (201230-82-2) → 1-dodecyl cyclohexanecarboxylate (94107-45-6)

Guidance literature:

With di-tert-butyl peroxide; triphenylphosphine; palladium dichloride; In 1,2-dichloro-ethane; at 110 ℃; for 24h; under 3800.26 Torr; Autoclave;

DOI:10.1002/chem.201602791

Reference yield:

→ 1-dodecyl cyclohexanecarboxylate (94107-45-6)

Guidance literature:

/BRN= 2100735/;

upstream raw materials:

1-dodecyl alcohol

Cyclohexanecarboxylic acid

cyclohexane

carbon monoxide

Refernces

• 1、 Sakakura, Akira,Koshikari, Yoshiki,Akakura, Matsujiro,Ishihara, Kazuaki. "Hydrophobic N,N-diarylammonium pyrosulfates as dehydrative condensation catalysts under aqueous conditions". supporting information; experimental part. p. 30 - 33. Retrieved 2012/02/14.
• 2、 Manabe,Sun,Kobayashi. "Dehydration reactions in water. Surfactant-type Bronsted acid-catalyzed direct esterification of carboxylic acids with alcohols in an emulsion system [2]". . p. 10101 - 10102. Retrieved 2007/10/03.