(+)-Isomenthol

Base Information

• Chemical Name: (+)-Isomenthol
• CAS No.: 23283-97-8
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• Hs Code.: 2906199090
• European Community (EC) Number: 201-939-0,245-554-6,207-722-7
• UNII: RCZ2YJZ08S
• DSSTox Substance ID: DTXSID00885233
• Nikkaji Number: J208.635B
• Wikidata: Q27288059
• Metabolomics Workbench ID: 125297
• ChEMBL ID: CHEMBL1907990
• Mol file: 23283-97-8.mol

Synonyms:isomenthol

Chemical Property of (+)-Isomenthol

Chemical Property:

• Melting Point: 77-83°C
• Refractive Index: 1.4590 (estimate)
• Boiling Point: 218-219°C
• PKA: 15.30±0.60(Predicted)
• Flash Point: 93.3°C
• PSA: 20.23000
• Density: 0.89g/cm³
• LogP: 2.43950
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Ethanol (Sparingly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

(+)-Isomenthol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Plant Oils and Extracts
• Canonical SMILES: CC1CCC(C(C1)O)C(C)C
• Isomeric SMILES: C[C@@H]1CC[C@@H]([C@H](C1)O)C(C)C
• Uses: (+)-Isomenthol is a reagent that has been used in the preparation of a phosphine activator.

Technology Process of (+)-Isomenthol

There total 69 articles about (+)-Isomenthol 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: 65.58%

thymol (89-83-8) → DL-neomenthol (490-99-3,491-01-0,491-02-1,1490-04-6,2216-51-5,2216-52-6,3623-51-6,3623-52-7,3623-53-8,15356-60-2,15356-70-4,20747-49-3,20752-33-4,20752-34-5,23283-97-8,64282-88-8,89-78-1) + isomenthol (3623-52-7) + menthol (15356-70-4)

Guidance literature:

With hydrogen; at 190 ℃; under 15001.5 Torr; Temperature; Pressure;

Reference yield: 49.0%

thymol (89-83-8) → DL-neomenthol (490-99-3,491-01-0,491-02-1,1490-04-6,2216-51-5,2216-52-6,3623-51-6,3623-52-7,3623-53-8,15356-60-2,15356-70-4,20747-49-3,20752-33-4,20752-34-5,23283-97-8,64282-88-8,89-78-1) + isomenthol (3623-52-7)

Guidance literature:

With hydrogen; In cyclohexane; at 120 ℃; for 1.5h; under 22502.3 Torr; Time; Reagent/catalyst;

Reference yield: 2.0%

rac-neomenthyl-4-tolylsulfonate (14539-76-5) → p-4(8)-menthene (1124-27-2) + (Z)-p-menthan-4-ol (3239-03-0) + cis-p-menthan-4-ol (3239-02-9) + DL-neomenthol (490-99-3,491-01-0,491-02-1,1490-04-6,2216-51-5,2216-52-6,3623-51-6,3623-52-7,3623-53-8,15356-60-2,15356-70-4,20747-49-3,20752-33-4,20752-34-5,23283-97-8,64282-88-8,89-78-1) + 3-p-menthene (500-00-5)

Guidance literature:

2,6-dimethylpyridine; In water; at 20 ℃; Product distribution; other solvent and temperature;

DOI:10.1021/jo01305a003

upstream raw materials:

pulegone

thymol

(2R,5S)-menthone

(1R,4R)-(+)-isomenthone

Downstream raw materials:

(1R,3S,4R)-menthyl acetate

C₁₁H₁₉ClO₂

(+)-isomenthol benzoate

(+)-neomenthyl iodide

Refernces

• 1、 Shumski, Alexander J.,Swann, William A.,Escorcia, Nicole J.,Li, Christina W.. "Heterogeneous Hydroxyl-Directed Hydrogenation: Control of Diastereoselectivity through Bimetallic Surface Composition". . p. 6128 - 6134. Retrieved 2021/05/29.
• 2、 Giboulot, Steven,Baldino, Salvatore,Ballico, Maurizio,Figliolia, Rosario,P?thig, Alexander,Zhang, Shuanming,Zuccaccia, Daniele,Baratta, Walter. "Flat and Efficient H CNN and CNN Pincer Ruthenium Catalysts for Carbonyl Compound Reduction". . p. 1127 - 1142. Retrieved 2019/03/14.