Propanoic acid, 2-methyl-, cyclohexyl ester

Base Information

• Chemical Name: Propanoic acid, 2-methyl-, cyclohexyl ester
• CAS No.: 1129-47-1
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2915900090
• European Community (EC) Number: 214-448-1
• NSC Number: 53788
• DSSTox Substance ID: DTXSID4061543
• Nikkaji Number: J203.372K
• Wikidata: Q63408979
• Mol file: 1129-47-1.mol

Synonyms:1129-47-1;Cyclohexyl isobutyrate;Cyclohexyl 2-methylpropanoate;Propanoic acid, 2-methyl-, cyclohexyl ester;Cyclohexylisobutyrate;cyclohexyl-iso-butyrate;EINECS 214-448-1;NSC 53788;Cyclohexyl iso-butyrate;SCHEMBL753308;Cyclohexyl 2-methylpropanoate #;Isobutyric acid cyclohexyl ester;DTXSID4061543;Isobutyric acid, cyclohexyl ester;NSC53788;CYCLOHEXYL 2-METHYLPROPIONATE;NSC-53788;AKOS006242785;FT-0624228;Q63408979

Chemical Property of Propanoic acid, 2-methyl-, cyclohexyl ester

Chemical Property:

• Vapor Pressure: 0.288mmHg at 25°C
• Refractive Index: 1.4890 (estimate)
• Boiling Point: 202.7°Cat760mmHg
• Flash Point: 74.9°C
• PSA: 26.30000
• Density: 0.94g/cm³
• LogP: 2.51830
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

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

CYCLOHEXYL ISOBUTYRATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1CCCCC1

Technology Process of Propanoic acid, 2-methyl-, cyclohexyl ester

There total 10 articles about Propanoic acid, 2-methyl-, cyclohexyl ester 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: 99.5%

2-Methylpropionic anhydride (97-72-3) + cyclohexanol (108-93-0) → cyclohexyl isobutyrate (1129-47-1)

Guidance literature:

With 4-N,N-dimethylaminopyridinium saccharinate; at 25 ℃; for 2h; Inert atmosphere; Neat (no solvent);

DOI:10.1039/c1cc11556a

Reference yield: 92.0%

Thioisobutyric acid S-pyridin-2-yl ester (81357-56-4) + cyclohexanol (108-93-0) → cyclohexyl isobutyrate (1129-47-1)

Guidance literature:

With copper(ll) bromide; In acetonitrile; for 0.3h; Ambient temperature;

DOI:10.1021/jo00184a009

Reference yield: 88.0%

isobutyric Acid (79-31-2) + cyclohexene (110-83-8) → cyclohexyl isobutyrate (1129-47-1)

Guidance literature:

iron(III) trifluoromethanesulfonate; at 80 ℃; for 24h;

DOI:10.1039/b713951a

upstream raw materials:

isobutyric Acid

cyclohexanol

2-isopropylidene-5,5-dimethyl-[1,3]dioxane-4,6-dione

Thioisobutyric acid S-pyridin-2-yl ester

Downstream raw materials:

isobutyric Acid