alpha-Terpinyl acetate

Base Information

• Chemical Name: alpha-Terpinyl acetate
• CAS No.: 80-26-2
• Deprecated CAS: 104806-93-1,10581-37-0,21090-64-2,39427-28-6,1191242-15-5,10581-37-0,21090-64-2
• Molecular Formula: C12H20O2
• Molecular Weight: 196.29
• Hs Code.: 2915.39
• European Community (EC) Number: 201-265-7,232-357-5,234-183-5
• UNII: 9RXE0I9F2J
• DSSTox Substance ID: DTXSID2026496
• Nikkaji Number: J1.301C
• Wikidata: Q4456134
• Metabolomics Workbench ID: 28133
• ChEMBL ID: CHEMBL3183581
• Mol file: 80-26-2.mol

Synonyms:terpinyl acetate

Chemical Property of alpha-Terpinyl acetate

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 3.515Pa at 23℃
• Melting Point: 112-113.5 °C
• Refractive Index: 1.464 - 1.473
• Boiling Point: 239.872 °C at 760 mmHg
• Flash Point: 82.974 °C
• PSA: 26.30000
• Density: 0.962 g/cm³
• LogP: 3.07450
• Water Solubility.: 23mg/L at 23℃
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Terpinyl Acetate >85.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CCC(CC1)C(C)(C)OC(=O)C
• Physical properties: Terpinyl acetate is a p-menthane monoterpenoid that naturally found in melanoleuca, elettaria cardamomum. It is a colorless liquid with a bergamot, bergamot odor. Soluble in five or more volumes of 70% alcohol; slightly soluble in water and glycerol. Combustible.
• Uses: Perfumes, flavoring agent.

Technology Process of alpha-Terpinyl acetate

There total 54 articles about alpha-Terpinyl acetate 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%

terpineol (98-55-5,2438-12-2) + acetic anhydride (108-24-7) → terpinyl acetate (80-26-2)

Guidance literature:

aluminium dodecatungsten phosphate; at 20 ℃; for 2.33333h;

DOI:10.1039/b300775h

Reference yield: 91.0%

Isopropenyl acetate (108-22-5) + terpineol (98-55-5,2438-12-2) → terpinyl acetate (80-26-2)

Guidance literature:

With toluene-4-sulfonic acid; at 0 ℃;

DOI:10.1134/S1070428014120264

Reference yield: 48.0%

α-terpinyl chloride (39864-10-3) + zinc diacetate (557-34-6) → Terpinolene (586-62-9,69073-38-7) + terpinyl acetate (80-26-2) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

With pyridine; In dichloromethane; at 40 ℃; for 80h; Product distribution; Heating; other solvents and temperatures;

DOI:10.1016/S0040-4020(01)91815-0

upstream raw materials:

1,8-Cineole

acetic anhydride

terpineol

sodium acetate

Downstream raw materials:

Terpinolene

1-methyl-4-isopropyl-1,3-cyclohexadiene

(-)-(S)-limonene

terpineol

Refernces

• 1、 Hu, Yi-Ming,Huang, Xiao-Rui,Meng, Zhong-Lei,Qin, Rong-Xiu,Wen, Ru-Si,Zhou, Yong-Hong. "Synthesis of Terpineol from Alpha-Pinene Catalyzed by α-Hydroxy Acids". . . Retrieved 2022/02/17.
• 2、 Wijayati, Nanik,Kusumastuti, Ella,Alighiri, Dante,Rohmawati, Baiti,Lusiana, Retno Ariadi. "Heterogeneous zeolite-based catalyst for esterification of α-pinene to α-terpinyl acetate". . p. 399 - 403. Retrieved 2019/06/05.