Dodecanoic acid, 3-hydroxypropyl ester

Base Information

• Chemical Name: Dodecanoic acid, 3-hydroxypropyl ester
• CAS No.: 10108-22-2
• Molecular Formula: C15H30 O3
• Molecular Weight: 258.401
• Hs Code.: 2915900090
• European Community (EC) Number: 233-292-5
• NSC Number: 406283
• UNII: O98IIW5ISG
• DSSTox Substance ID: DTXSID2064947
• Nikkaji Number: J115.056A
• Wikidata: Q81991858
• Mol file: 10108-22-2.mol

Synonyms:Dodecanoic acid, 3-hydroxypropyl ester;3-hydroxypropyl dodecanoate;3-Hydroxypropyl laurate;10108-22-2;Lauric acid, 3-hydroxypropyl ester;Atlas G 917;Atlas G 3851;O98IIW5ISG;EINECS 233-292-5;NSC 406283;NSC-406283;1,3-Propanediol laurate;UNII-O98IIW5ISG;3-Hydroxypropyl laurate #;SCHEMBL2040630;DTXSID2064947;NSC406283;1,3-PROPANEDIOL, MONOLAURATE

Chemical Property of Dodecanoic acid, 3-hydroxypropyl ester

Chemical Property:

• Appearance/Colour: yellow oily liquid
• Vapor Pressure: 1.82E-05mmHg at 25°C
• PKA: 14.69±0.10(Predicted)
• Flash Point: 119°C
• PSA: 46.53000
• Density: 0.932g/cm³
• LogP: 3.83290
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 258.21949481
• Heavy Atom Count: 18
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: UN NO.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OCCCO

Technology Process of Dodecanoic acid, 3-hydroxypropyl ester

There total 6 articles about Dodecanoic acid, 3-hydroxypropyl 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: 84.0%

lauric acid (143-07-7) + trimethyleneglycol (504-63-2) → dodecanoic acid 3-hydroxypropyl ester (10108-22-2)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃; for 14h;

DOI:10.1021/jm5020082

Reference yield: 60.3%

n-dodecanoyl chloride (112-16-3) + trimethyleneglycol (504-63-2) → dodecanoic acid 3-hydroxypropyl ester (10108-22-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ja040105s

Reference yield: 34.0%

Dodecanal trimethylene acetal (6543-38-0) → dodecanoic acid 3-hydroxypropyl ester (10108-22-2)

Guidance literature:

With anthraquinone-2-carboxylic acid; oxygen; In ethyl acetate; for 3h; Irradiation; Green chemistry;

DOI:10.1016/j.tetlet.2015.02.104

upstream raw materials:

lauric acid

trimethyleneglycol

methyl n-dodecanoate

1,3-propanediyl dilaurate

Refernces

• 1、 Ikubo, Masaya,Inoue, Asuka,Nakamura, Sho,Jung, Sejin,Sayama, Misa,Otani, Yuko,Uwamizu, Akiharu,Suzuki, Keisuke,Kishi, Takayuki,Shuto, Akira,Ishiguro, Jun,Okudaira, Michiyo,Kano, Kuniyuki,Makide, Kumiko,Aoki, Junken,Ohwada, Tomohiko. "Structure-activity relationships of lysophosphatidylserine analogs as agonists of G-protein-coupled receptors GPR34, P2Y10, and GPR174". supporting information. p. 4204 - 4219. Retrieved 2015/06/08.