Dodecanoic acid, butyl ester

Base Information

• Chemical Name: Dodecanoic acid, butyl ester
• CAS No.: 106-18-3
• Molecular Formula: C16H32O2
• Molecular Weight: 256.429
• Hs Code.: 2915900090
• European Community (EC) Number: 203-370-3
• NSC Number: 3920
• UNII: 23985OCM4H
• DSSTox Substance ID: DTXSID4059336
• Nikkaji Number: J47.574B
• Wikidata: Q27253736
• Metabolomics Workbench ID: 45247
• Mol file: 106-18-3.mol

Synonyms:Lauricacid, butyl ester (6CI,7CI,8CI);Butyl dodecanoate;Butyl laurate;NSC 3920;n-Butyl laurate;

Chemical Property of Dodecanoic acid, butyl ester

Chemical Property:

• Vapor Pressure: 0.000817mmHg at 25°C
• Melting Point: -10 °C(lit.)
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 305.524 °C at 760 mmHg
• Flash Point: 139.769 °C
• PSA: 26.30000
• Density: 0.866 g/cm³
• LogP: 5.25060
• Water Solubility.: Soluble in water, 0.06006 mg/L @ 25°C.
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 256.240230259
• Heavy Atom Count: 18
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Butyl Laurate >99.0%(GC) ^*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: CCCCCCCCCCCC(=O)OCCCC
• Uses: n-Butyl dodecanoate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Technology Process of Dodecanoic acid, butyl ester

There total 7 articles about Dodecanoic acid, butyl ester 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%

lauric acid (143-07-7) + butan-1-ol (71-36-3) → butyl laurate (106-18-3)

Guidance literature:

polyaniline sulfate; at 70 ℃; for 24h;

Reference yield: 98.0%

vinyl laurate (2146-71-6) + butan-1-ol (71-36-3) → butyl laurate (106-18-3)

Guidance literature:

With carbon dioxide; at 46.02 ℃; for 3.5h; under 66081.6 Torr; Reagent/catalyst; High pressure; Supercritical conditions; Green chemistry;

DOI:10.1016/j.procbio.2015.04.019

Reference yield:

1-dodecene (112-41-4,25067-08-7,62132-67-6) + 1-tetradecene (1120-36-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + 1-undecene (821-95-4) + 1-tridecene (2437-56-1) + 1-pentadecene (13360-61-7) + carbon monoxide (201230-82-2) + butan-1-ol (71-36-3) → butyl undecanoate (10580-24-2) + butyl laurate (106-18-3) + n-butyl tridecanoate (28267-31-4) + n-butyl myristate (110-36-1) + butyl palmitate (111-06-8) + Butyl pentadecanoate (35996-97-5)

Guidance literature:

With pyridine; dicobalt octacarbonyl; at 160 ℃; for 24h; under 60006 - 75007.5 Torr; Conversion of starting material;

upstream raw materials:

lauric acid

butan-1-ol

1-dodecene

1-tetradecene

Downstream raw materials:

undecyl alcohol

pentadecanol

1-dodecyl alcohol

tridecan-1-ol

Refernces

• 1、 Yara-Varón, Edinson,Eras Joli, Jordi,Torres, Mercè,Sala, Nuria,Villorbina, Gemma,Méndez, Jonh Jairo,Canela-Garayoa, Ramon. "Solvent-free biocatalytic interesterification of acrylate derivatives". . p. 86 - 90. Retrieved 2012.
• 2、 Eby,Peretti. "Performance in synthetic applications of a yeast surface display-based biocatalyst". . p. 30425 - 30432. Retrieved 2015.
• 3、 Bian, Gang,Jiang, Pingping,Zhang, Weijie,Jiang, Kelei,Hu, Ling,Jian, Zhang,Shen, Yirui,Zhang, Pingbo. "A novel poly(p-styrenesulfonic acid) grafted carbon nanotube/graphene oxide architecture with enhanced catalytic performance for the synthesis of benzoate esters and fatty acid alkyl esters". . p. 90757 - 90765. Retrieved 2015.
• 4、 Keshavarz, Mosadegh,Iravani, Nasir,Parhami, Abolfath. "Novel SO3H-functionalized polyoxometalate-based ionic liquids as highly efficient catalysts for esterification reaction". . p. 272 - 278. Retrieved 2019.
• 5、 Shi, Yingxia,Liang, Xuezheng. "Robust acidic pseudo-ionic liquid catalyst with self-separation ability for esterification and acetalization". . p. 1413 - 1421. Retrieved 2019.
• 6、 Kim, Il,Kim, Ji Su,Song, Wenliang,Varyambath, Anuraj,Zhang, Yu. "Sulfonic acid modified hollow polymer nanospheres with tunable wall-thickness for improving biodiesel synthesis efficiency". . p. 3572 - 3583. Retrieved 2020/08/28.