Propyl dodecanoate

Base Information

• Chemical Name: Propyl dodecanoate
• CAS No.: 3681-78-5
• Molecular Formula: C15H30 O2
• Molecular Weight: 242.402
• Hs Code.: 2915900090
• European Community (EC) Number: 222-961-7
• NSC Number: 42573
• UNII: 2YV6DL6VEE
• DSSTox Substance ID: DTXSID30190286
• Nikkaji Number: J115.171A
• Wikidata: Q63392911
• Metabolomics Workbench ID: 4110
• Mol file: 3681-78-5.mol

Synonyms:Propyl dodecanoate;Propyl laurate;3681-78-5;Dodecanoic acid, propyl ester;propionyl dodecanoate;lauric acid propyl ester;AI3-31997;EINECS 222-961-7;MFCD00056190;NSC-42573;WE(3:0/12:0);PROPYLLAURATE;Propyl laurate #;Lauric acid, propyl ester;2YV6DL6VEE;dodecanoic acid propyl ester;Propyl dodecanoate, ~99%;SCHEMBL332712;DTXSID30190286;NSC42573;LMFA07010465;NSC 42573;AKOS014762960;CS-W002270;AS-20063;SY022094;AM20090591;FT-0688410;A874277;Q63392911

Chemical Property of Propyl dodecanoate

Chemical Property:

• Vapor Pressure: 0.00208mmHg at 25°C
• Melting Point: 4.2°C (estimate)
• Refractive Index: 1.4335
• Boiling Point: 290.3°Cat760mmHg
• Flash Point: 130°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.86050
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

PropylDodecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OCCC

Technology Process of Propyl dodecanoate

There total 6 articles about Propyl 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: 99.0%

propan-1-ol (71-23-8) + vinyl laurate (2146-71-6) → n-propyl laurate (3681-78-5)

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: 99.0%

propan-1-ol (71-23-8) + lauric acid (143-07-7) → n-propyl laurate (3681-78-5)

Guidance literature:

polyaniline sulfate; at 70 ℃; for 24h;

Reference yield: 98.0%

propan-1-ol (71-23-8) + methyl n-dodecanoate (111-82-0) → n-propyl laurate (3681-78-5)

Guidance literature:

With chloro-trimethyl-silane; for 2h; Heating;

DOI:10.1080/00397919908086082

upstream raw materials:

propan-1-ol

lauric acid

n-dodecanoyl chloride

methyl n-dodecanoate

Downstream raw materials:

1-dodecyl alcohol

undecyl cyanide

Refernces

• 1、 Holgate, Danielle,Jamie, Ian M.,Jamie, Joanne F.,Mendez, Vivian,Noushini, Sally,Park, Soo Jean,Perez, Jeanneth,Taylor, Phillip W.. "Electrophysiological responses of bactrocera kraussi (Hardy) (tephritidae) to rectal gland secretions and headspace volatiles emitted by conspecific males and females". . . Retrieved 2021/08/27.
• 2、 Badgujar, Kirtikumar C.,Bhanage, Bhalchandra M.. "Immobilization of lipase on biocompatible co-polymer of polyvinyl alcohol and chitosan for synthesis of laurate compounds in supercritical carbon dioxide using response surface methodology". . p. 1224 - 1236. Retrieved 2015/07/08.