Neocarvomenthol

Base Information

• Chemical Name: Neocarvomenthol
• CAS No.: 1126-40-5
• Molecular Formula: C₁₀H₂₀O
• Molecular Weight: 156.268
• DSSTox Substance ID: DTXSID401020782
• Nikkaji Number: J411.316K
• Mol file: 1126-40-5.mol

Synonyms:Neocarvomenthol;Cyclohexanol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-;(1R)-(+)-neocarvomenthol;(1S)-(-)-Neocarvomenthol;ULJXKUJMXIVDOY-BBBLOLIVSA-N;DTXSID401020782;(1R,1beta,4alpha)-p-Menthane-2beta-ol;(1.alpha.,2.alpha.,5.beta.)-5-Isopropyl-2-methylcyclohexanol;1126-40-5

Chemical Property of Neocarvomenthol

Chemical Property:

• PSA: 20.23000
• LogP: 2.43950
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1O)C(C)C
• Isomeric SMILES: C[C@@H]1CC[C@H](C[C@@H]1O)C(C)C

Technology Process of Neocarvomenthol

There total 46 articles about Neocarvomenthol 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: 90.0%

Carvone (99-49-0,22327-39-5) → (+/-)-menthol (499-69-4,1126-39-2,1126-40-5,1126-41-6,1845-59-6,3127-80-8,3858-43-3,3858-45-5,3858-47-7,3858-49-9,5563-78-0,42846-32-2,116783-34-7,60320-28-7)

Guidance literature:

With LaNi₅ hydride; In tetrahydrofuran; methanol; for 3h; Ambient temperature;

DOI:10.1021/jo00235a009

Reference yield: 85.0%

carvacrol (499-75-2) → (+/-)-menthol (499-69-4,1126-39-2,1126-40-5,1126-41-6,1845-59-6,3127-80-8,3858-43-3,3858-45-5,3858-47-7,3858-49-9,5563-78-0,42846-32-2,116783-34-7,60320-28-7)

Guidance literature:

With hydrogen; platinum; at 170 ℃; for 6h; under 2400.24 Torr;

Reference yield: 53.0%

cis epoxyde du carvomenthene (3626-19-5,4680-25-5,4959-34-6,5034-17-3,5034-18-4,51424-68-1) → Menthane (99-82-1,1678-82-6,6069-98-3,129939-70-4,129939-71-5) + carvomenthone (499-70-7) + cis p-menthanol (3901-95-9) + 5-isoprpyl-2-methylcyclohexan-1-ol (499-69-4,1126-39-2,1126-40-5,1126-41-6,1845-59-6,3127-80-8,3858-43-3,3858-45-5,3858-47-7,3858-49-9,5563-78-0,42846-32-2,60320-28-7,116783-34-7) + 5-isopropyl-2-methylcyclohexan-1-ol (499-69-4,1126-39-2,1126-40-5,1126-41-6,1845-59-6,3127-80-8,3858-43-3,3858-45-5,3858-47-7,3858-49-9,5563-78-0,42846-32-2,60320-28-7,116783-34-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In cyclohexane; at 20 ℃; under 760 Torr; Rate constant;

DOI:10.1016/S0040-4020(01)98846-5

upstream raw materials:

(S)-p-mentha-6,8-dien-2-one

Carvone

ethanol

carvotanacetone

Downstream raw materials:

p-menth-1-ene

carvomenthone

2-chloro-p-menthane