2-Methyl-5-(propan-2-yl)cyclohexyl acetate

Base Information

• Chemical Name: 2-Methyl-5-(propan-2-yl)cyclohexyl acetate
• CAS No.: 7460-78-8
• Molecular Formula: C12H22O2
• Molecular Weight: 198.3019
• European Community (EC) Number: 244-027-8,257-265-2,257-268-9
• NSC Number: 404222
• DSSTox Substance ID: DTXSID50866198
• Nikkaji Number: J841.522F
• Mol file: 7460-78-8.mol

Synonyms:7460-78-8;Neocarvomenthyl acetate;Neoisocarvomenthyl acetate;51546-61-3;2-methyl-5-(propan-2-yl)cyclohexyl acetate;5-Isopropyl-2-methylcyclohexyl acetate #;EINECS 244-027-8;EINECS 257-265-2;EINECS 257-268-9;SCHEMBL6716947;DTXSID50866198;JAKFDYGDDRCJLY-UHFFFAOYSA-N;(1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate;(1)-(1alpha,2beta,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate;NSC404222;NSC-404222;20777-43-9;51547-99-0

Chemical Property of 2-Methyl-5-(propan-2-yl)cyclohexyl acetate

Chemical Property:

• Boiling Point: 229.1 °C at 760 mmHg
• Flash Point: 94.4 °C
• Density: 0.92 g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1OC(=O)C)C(C)C

Technology Process of 2-Methyl-5-(propan-2-yl)cyclohexyl acetate

There total 3 articles about 2-Methyl-5-(propan-2-yl)cyclohexyl 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: 99.0%

(+/-)-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) + acetic acid (64-19-7,77671-22-8) → 2-methyl-5-(propan-2-yl)cyclohexyl acetate (7460-78-8)

Guidance literature:

With β-cyclodextrin-SO3H; In neat (no solvent); at 70 ℃; for 6h;

DOI:10.1039/c4ra16699j

Reference yield: 85.0%

(+/-)-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) + acetic anhydride (108-24-7) → 2-methyl-5-(propan-2-yl)cyclohexyl acetate (7460-78-8)

Guidance literature:

With N,N'-dimethyl-N,N'-di(pyridin-4-yl)ferrocene-1,1'-dicarboxamide; at 20 ℃; for 0.583333h;

DOI:10.1039/c3ra41674g

Reference yield:

→ 2-methyl-5-(propan-2-yl)cyclohexyl acetate (7460-78-8)

Guidance literature:

Carvomenthol,Acetanhydrid u.Pyridin;

DOI:10.1039/j29660000219

upstream raw materials:

(+/-)-menthol

acetic acid

acetic anhydride

Refernces

• 1、 Kashyap, Bishwapran,Phukan, Prodeep. "A new ferrocene-based bulky pyridine as an efficient reusable homogeneous catalyst". . p. 15327 - 15336. Retrieved 2013/09/02.