Tetrahydroionyl acetate

Base Information

• Chemical Name: Tetrahydroionyl acetate
• CAS No.: 68555-59-9
• Molecular Formula: C15H28O2
• Molecular Weight: 240.386
• European Community (EC) Number: 271-435-3
• DSSTox Substance ID: DTXSID30887462
• Nikkaji Number: J309.196A
• Mol file: 68555-59-9.mol

Synonyms:Tetrahydroionyl acetate;68555-59-9;4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate;EINECS 271-435-3;Cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-, acetate;alpha,2,2,6-Tetramethylcyclohexylpropyl acetate;Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, acetate;Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, 1-acetate;SCHEMBL3505109;DTXSID30887462;FT-0641192;2-Butanol, 4-[2,2,6-trimethylcyclohexyl]-, acetate;1-Methyl-3-(2,2,6-trimethylcyclohexyl)propyl acetate #;Cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-, 1-acetate;Acetic acid 3-(2,2,6-trimethylcyclohexyl)-1-methylpropyl ester

Chemical Property of Tetrahydroionyl acetate

Chemical Property:

• Boiling Point: 268.2°Cat760mmHg
• Flash Point: 117.7°C
• PSA: 26.30000
• Density: 0.882g/cm³
• LogP: 4.18060
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.208930132
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1CCC(C)OC(=O)C)(C)C

Technology Process of Tetrahydroionyl acetate

There total 3 articles about Tetrahydroionyl 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:

(E)-β-ionone (79-77-6,14901-07-6) → O-acetyl-trans-tetrahydroionol (68555-59-9)

Guidance literature:

Multi-step reaction with 2 steps

1: nickel / 150 - 240 °C / Hydrogenation

2: pyridine

With pyridine; nickel;

Reference yield:

alpha-ionone (127-41-3,6901-97-9,14398-36-8,24190-29-2,30685-95-1,31798-12-6,52340-45-1,67529-94-6,67529-95-7) → O-acetyl-trans-tetrahydroionol (68555-59-9)

Guidance literature:

Multi-step reaction with 2 steps

1: nickel / 150 - 240 °C / Hydrogenation

2: pyridine

With pyridine; nickel;

Reference yield:

trans-tetrahydroionol (4361-23-3) + acetic anhydride (108-24-7) → O-acetyl-trans-tetrahydroionol (68555-59-9)

Guidance literature:

With pyridine;

upstream raw materials:

trans-tetrahydroionol

acetic anhydride

(E)-β-ionone

alpha-ionone