Tetrahydrofurfuryl oleate

Base Information

• Chemical Name: Tetrahydrofurfuryl oleate
• CAS No.: 5420-17-7
• Molecular Formula: C23H42O3
• Molecular Weight: 366.585
• Hs Code.: 2932190090
• European Community (EC) Number: 226-532-5
• NSC Number: 4843
• UNII: 95A9ZRK90G
• Nikkaji Number: J68.899A
• Wikidata: Q27271770
• Mol file: 5420-17-7.mol

Synonyms:Tetrahydrofurfuryl oleate;5420-17-7;oxolan-2-ylmethyl (Z)-octadec-9-enoate;Oleic acid, tetrahydrofurfuryl ester;UNII-95A9ZRK90G;95A9ZRK90G;NSC-4843;(Tetrahydrofuran-2-yl)methyl oleate;EINECS 226-532-5;AI3-05828;9-Octadecenoic acid, (Z)-, (tetrahydro-2-furanyl)methyl ester;PLASTOLEIN 9250;SCHEMBL216064;NSC4843;NSC 4843;J68.899A;Oleic acid tetrahydrofuran-2-ylmethyl ester;FURFURYL ALCOHOL, TETRAHYDRO-, OLEATE;W-110036;OLEIC ACID (TETRAHYDROFURAN-2-YL)METHYL ESTER;Q27271770;9-Octadecenoic acid, (tetrahydro-2-furanyl)methyl ester, (Z)-;9-OCTADECENOIC ACID (9Z)-, (TETRAHYDRO-2-FURANYL)METHYL ESTER;TETRAHYDROFURFURYL OLEATE;OLEIC ACID, TETRAHYDROFURFURYL ESTER

Chemical Property of Tetrahydrofurfuryl oleate

Chemical Property:

• Vapor Pressure: 1.22E-08mmHg at 25°C
• Refractive Index: 1.468
• Boiling Point: 459.8 °C at 760 mmHg
• Flash Point: 173.5 °C
• PSA: 35.53000
• Density: 0.927 g/cm³
• LogP: 6.74610
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 366.31339520
• Heavy Atom Count: 26
• Complexity: 351

Purity/Quality:

98% ^*data from raw suppliers

TETRAHYDROFURFURYL OLEATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC1CCCO1
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CCCO1
• Uses: Plasticizer.

Technology Process of Tetrahydrofurfuryl oleate

There total 3 articles about Tetrahydrofurfuryl oleate 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: 92.0%

Tetrahydrofurfuryl alcohol (97-99-4) + (Z)-9-octadecenoyl chloride (112-77-6) → (Z)-(tetrahydrofuran-2-yl)methyl octadec-9-enoate (5420-17-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → (Z)-(tetrahydrofuran-2-yl)methyl octadec-9-enoate (5420-17-7)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

2: triethylamine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;

Reference yield:

Tetrahydrofurfuryl alcohol (97-99-4) + cis-Octadecenoic acid (112-80-1,2027-47-6) → (Z)-(tetrahydrofuran-2-yl)methyl octadec-9-enoate (5420-17-7)

Guidance literature:

With naphthalene-2-sulfonate; benzene;

DOI:10.1021/ie50551a034

upstream raw materials:

Tetrahydrofurfuryl alcohol

cis-Octadecenoic acid

(Z)-9-octadecenoyl chloride

Refernces