TRANS-12-OCTADECENOIC ACID (C18:1,*(TRANS-12))

Base Information

• Chemical Name: TRANS-12-OCTADECENOIC ACID (C18:1,*(TRANS-12))
• CAS No.: 13126-38-0
• Molecular Formula: C₁₈H₃₄O₂
• Molecular Weight: 282.467
• Hs Code.: 2916190090
• Mol file: 13126-38-0.mol

Synonyms:12-Octadecenoicacid, (E)- (8CI); (E)-12-Octadecenoic acid; trans-12-Octadecenoic acid; D12-trans-Octadecenoic acid

Chemical Property of TRANS-12-OCTADECENOIC ACID (C18:1,*(TRANS-12))

Chemical Property:

• Vapor Pressure: 1.87E-07mmHg at 25°C
• Melting Point: 34-36 °C
• Refractive Index: 1.466
• Boiling Point: 398.2°C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 295°C
• PSA: 37.30000
• Density: 0.899g/cm³
• LogP: 6.10850
• Storage Temp.: −20°C

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of TRANS-12-OCTADECENOIC ACID (C18:1,*(TRANS-12))

There total 24 articles about TRANS-12-OCTADECENOIC ACID (C18:1,*(TRANS-12)) 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%

C15H27BrO2 (1448529-17-6) + 1-propylmagnesium chloride (2234-82-4) → trans-12-Octadecensaeure (13126-38-0)

Guidance literature:

C₁₅H₂₇BrO₂; With tert-butylmagnesium chloride; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;

1-propylmagnesium chloride; With 1-methyl-pyrrolidin-2-one; buta-1,3-diene; nickel dichloride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201204222

Reference yield:

linoleic acid (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) → cis-Octadecenoic acid (112-80-1,2027-47-6) + petroselinic acid (7378-88-3,13126-37-9,13126-38-0) + stearic acid (57-11-4)

Guidance literature:

With C₁₆H₃₆P⁽¹⁺⁾*C₃H₅O₃^(1-); hydrogen; palladium dichloride; In water; at 20 ℃; for 18h; under 760.051 Torr; Reagent/catalyst; Schlenk technique; Inert atmosphere; Green chemistry;

DOI:10.1039/c6ra23056c

Reference yield:

petroselinic acid (7378-88-3,13126-37-9,13126-38-0) → trans-12-Octadecensaeure (13126-38-0)

Guidance literature:

With selenium; at 180 - 200 ℃;

DOI:10.1021/ja01150a087

upstream raw materials:

12-Hydroxystearic acid

ethyl 12-hydroxystearate

12-octadecynoic acid

1-Heptyne

Downstream raw materials:

12-octadecenoic acid

D-erythro-12,13-dihydroxy-octadecanoic acid

Refernces

• 1、 -. "NOVEL GLYCINE TRANSPORT INHIBITORS FOR THE TREATMENT OF PAIN". Page/Page column 54; 55. . Retrieved 2018/08/12.
• 2、 Hayouni, Safa,Robert, Anthony,Ferlin, Nadège,Amri, Hassen,Bouquillon, Sandrine. "New biobased tetrabutylphosphonium ionic liquids: Synthesis, characterization and use as a solvent or co-solvent for mild and greener Pd-catalyzed hydrogenation processes". . p. 113583 - 113595. Retrieved 2016/12/16.