Terpinyl propionate

Base Information

• Chemical Name: Terpinyl propionate
• CAS No.: 80-27-3
• Deprecated CAS: 1334-92-5
• Molecular Formula: C13H22O2
• Molecular Weight: 210.316
• European Community (EC) Number: 201-266-2,263-530-3
• UNII: 7JE9M43B3K
• DSSTox Substance ID: DTXSID3044833
• Nikkaji Number: J141.005I
• Wikidata: Q27268406
• Metabolomics Workbench ID: 45234
• ChEMBL ID: CHEMBL3188389
• Mol file: 80-27-3.mol

Synonyms:Terpinyl propionate;80-27-3;Terpineol propionate;Terpineol, propanoate;p-Menthanyl propionate;alpha-Terpinyl propionate;p-Menth-1-en-8-yl propionate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate;p-Menth-1-en-8-yl propanoate;Propionic acid, terpineol ester;alpha-Terpineol propanoate;.alpha.-Terpinyl propionate;FEMA No. 3053;Terpinyl n-propionate;EINECS 201-266-2;EINECS 263-530-3;UNII-3GKH6X9TE3;UNII-7JE9M43B3K;3-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, PROPANOATE;AI3-24377;7JE9M43B3K;alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate;62395-45-3;DTXSID3044833;4-Terpinenyl ester of propanoic acid;3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propanoate;3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate;3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, propanoate;p-menth-1-en-8-yl-propionate;Terpinylpropionat;Terpenyl propionate;a-Terpineol propanoate;TERPINYLPROPIONATE;alpha -terpinyl propionate;3GKH6X9TE3;p-menth-1-en-8-ylpropionat;MENTHEN-1-YL-8-ATE;SCHEMBL129843;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propionate;CHEMBL3188389;DTXCID1024833;FEMA 3053;CHEBI:174065;Tox21_301775;LS-3112;P-MENTH-1-EN-8-OL PROPIONATE;alpha -terpinyl ester of propanoic acid;CAS-80-27-3;FEMA NO. 3053, .ALPHA.-;.alpha.-Terpinyl ester of propanoic acid;NCGC00256174-01;LS-148798;p - menth - 1 - en - 8 - yl propionate;E79720;2-(4-methylcyclohex-3-enyl)propan-2-yl propanoate;Q27268406;1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl propionate;1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl propionate #;3-ciclohexeno-1-metanol, alfa, alfa, 4-trimetil-, 1-propanoato;3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-propanoate;3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-propanoate

Chemical Property of Terpinyl propionate

Chemical Property:

• Appearance/Colour: Colorless to slightly yellow liquid
• Vapor Pressure: 0.0133mmHg at 25°C
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 258.9 °C at 760 mmHg
• Flash Point: 86.3 °C
• PSA: 26.30000
• Density: 0.953 g/cm³
• LogP: 3.46460
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

TerpinylpropionateFCC,95-100%(GC),meetsFGspecifications,KOSHER,FEMA3053Hazmat 95-100%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)OC(C)(C)C1CCC(=CC1)C

Technology Process of Terpinyl propionate

There total 5 articles about Terpinyl propionate 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: 70.0%

α-terpinyl chloride (39864-10-3) + propionic acid (802294-64-0,79-09-4) → α,α-4-trimethyl-3-cyclohexene-1-methanol (80-27-3)

Guidance literature:

With zinc(II) oxide; at 40 ℃; for 2h;

DOI:10.1016/0040-4020(82)80261-5

Reference yield: 57.2%

terpineol (98-55-5,2438-12-2) + propionic acid anhydride (123-62-6) → α,α-4-trimethyl-3-cyclohexene-1-methanol (80-27-3)

Guidance literature:

With p-toluenesulfonyl chloride; at 20 ℃; for 1.5h;

DOI:10.1016/j.ejmech.2017.07.068

Reference yield:

(Z)-3,7-dimethyl-2,6-octadien-1-yl propanoate (105-91-9,27751-90-2) → 1,8-Cineole (470-82-6) + Terpinolene (586-62-9,69073-38-7) + 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + crithmene (99-85-4) + α,α-4-trimethyl-3-cyclohexene-1-methanol (80-27-3) + isoterpinolene (586-63-0) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

With C-undecylcalix[4]resorcinarene; In decane; chloroform-d1; at 30 ℃;

DOI:10.1021/jacs.7b04480

upstream raw materials:

α-terpinyl chloride

propionic acid

limonene.

(Z)-3,7-dimethyl-2,6-octadien-1-yl propanoate

Refernces

• 1、 Zhang, Qi,Catti, Lorenzo,Pleiss, Jürgen,Tiefenbacher, Konrad. "Terpene Cyclizations inside a Supramolecular Catalyst: Leaving-Group-Controlled Product Selectivity and Mechanistic Studies". supporting information. p. 11482 - 11492. Retrieved 2017/08/30.
• 2、 -. "ANTIMICROBIAL COMPOSITION COMPRISING THYMOL AND A TERPINYL DERIVATIVE". Page/Page column 34. . Retrieved 2013/03/26.