Isopropyl dodecanoate

Base Information

• Chemical Name: Isopropyl dodecanoate
• CAS No.: 10233-13-3
• Molecular Formula: C15H30O2
• Molecular Weight: 242.402
• Hs Code.: 2915900090
• European Community (EC) Number: 233-560-1
• UNII: U0JQ94LABM
• DSSTox Substance ID: DTXSID3041904
• Nikkaji Number: J183.057K
• Wikidata: Q5971737
• Metabolomics Workbench ID: 4319
• Mol file: 10233-13-3.mol

Synonyms:Isopropyl dodecanoate;ISOPROPYL LAURATE;10233-13-3;propan-2-yl dodecanoate;Dodecanoic acid, 1-methylethyl ester;1-Methylethyl dodecanoate;UNII-U0JQ94LABM;Isopropyl_laurate;U0JQ94LABM;iso-Propyl dodecanoate;EINECS 233-560-1;SCHEMBL44513;Isopropyl laurate, AldrichCPR;MFCD00451146;WE(2:0(1Me)/12:0);EC 233-560-1;AC1L18DL;LEXOL IPL;DUB LAIP;AEC ISOPROPYL LAURATE;Lauric acid, isopropyl ester;dodecanoic acid isopropyl ester;DTXSID3041904;ISOPROPYL LAURATE [INCI];CHEBI:89676;Dodecanoic acid methylethyl ester;LMFA07010674;AKOS014763161;CS-W002613;DS-2780;SY003934;FT-0696522;Q5971737;W-108876;(+)-TRANS-1,2-CYCLOHEXANEDICARBOXYLICANHYDRIDE;56S

Chemical Property of Isopropyl dodecanoate

Chemical Property:

• Appearance/Colour: colourless oily liquid
• Vapor Pressure: 0.00358mmHg at 25°C
• Melting Point: 4.2°C (estimate)
• Refractive Index: 1.436
• Boiling Point: 281.345 °C at 760 mmHg
• Flash Point: 124.987 °C
• PSA: 26.30000
• Density: 0.866 g/cm³
• LogP: 4.85890
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OC(C)C

Technology Process of Isopropyl dodecanoate

There total 11 articles about Isopropyl dodecanoate 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: 97.0%

lauric acid (143-07-7) + isopropyl alcohol (67-63-0,8013-70-5) → lauric acid isopropyl ester (10233-13-3)

Guidance literature:

With ethenetetracarbonitrile; at 60 ℃; for 48h;

DOI:10.1246/cl.1997.55

Reference yield: 95.0%

n-dodecanoyl chloride (112-16-3) + isopropyl alcohol (67-63-0,8013-70-5) → lauric acid isopropyl ester (10233-13-3)

Guidance literature:

With pyridine; In diethyl ether; at 0 - 20 ℃; for 1h;

DOI:10.1371/journal.pone.0141799

Reference yield: 63.0%

methyl n-dodecanoate (111-82-0) + isopropyl alcohol (67-63-0,8013-70-5) → lauric acid isopropyl ester (10233-13-3)

Guidance literature:

With tetracyanomethylene; at 60 ℃; for 48h;

DOI:10.1246/cl.1997.55

upstream raw materials:

lauric acid

isopropyl alcohol

n-dodecanoyl chloride

methyl n-dodecanoate

Downstream raw materials:

1-dodecyl alcohol

isopropyl alcohol

lauric acid amide

undecyl cyanide

Refernces

• 1、 Sekerová, Lada,B?ezinová, Pavlína,Do, Thuy Tran,Vysko?ilová, Eli?ka,Krupka, Ji?í,?erveny, Libor,Havelková, Lucie,Bashta, Bogdana,Sedlá?ek, Jan. "Sulfonated Hyper-cross-linked Porous Polyacetylene Networks as Versatile Heterogeneous Acid Catalysts". . p. 1075 - 1084. Retrieved 2020.
• 2、 Cainelli,Manescalchi. "-". . p. 723. Retrieved 1975.
• 3、 Sanna, Vanna,Mariani, Alberto,Caria, Giuseppe,Sechi, Mario. "Synthesis and evaluation of different fatty acid esters formulated into Precirol ATO-based lipid nanoparticles as vehicles for topical delivery". . p. 680 - 684. Retrieved 2009.
• 4、 -. "Method for synthesis of long-chain fatty acid ester derivative". Paragraph 0023-0024. . Retrieved 2020/01/12.