Methyl cyclohexylacetate

Base Information

• Chemical Name: Methyl cyclohexylacetate
• CAS No.: 14352-61-5
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• Hs Code.: 2916209090
• European Community (EC) Number: 700-789-8
• NSC Number: 68511
• DSSTox Substance ID: DTXSID60162451
• Nikkaji Number: J45.114B
• Wikidata: Q63408888
• Mol file: 14352-61-5.mol

Synonyms:methyl 2-cyclohexylacetate;14352-61-5;Methyl cyclohexylacetate;Methylcyclohexylacetate;Methyl cyclohexaneacetate;Cyclohexaneacetic acid, methyl ester;MFCD00001516;EC 700-789-8;Cyclohexyl acetic acid methyl ester;Cyclohexaneacetic acid methyl;SCHEMBL106265;Methyl cyclohexylacetate, 99%;IMXBRVLCKXGWSS-UHFFFAOYSA-;DTXSID60162451;cyclohexyl-acetic acid methyl ester;NSC68511;NSC 68511;NSC-68511;AKOS008910111;CYCLOHEXYLACETIC ACID METHYL ESTER;SY011892;FT-0747415;EN300-783056;F14170;J-007828;Q63408888;Z24777001

Chemical Property of Methyl cyclohexylacetate

Chemical Property:

• Appearance/Colour: COLORLESS LIQUID
• Vapor Pressure: 0.315mmHg at 25°C
• Melting Point: 201 °C(lit.)
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 201 °C at 760 mmHg
• Flash Point: 66.8 °C
• PSA: 26.30000
• Density: 0.951 g/cm³
• LogP: 2.12980
• Solubility.: water: soluble0.3g/L at 30°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl cyclohexylacetate 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 38-43-52/53
• Safety Statements: 36/37-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CC1CCCCC1

Technology Process of Methyl cyclohexylacetate

There total 27 articles about Methyl cyclohexylacetate 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: 98.0%

methanol (67-56-1) + Cyclohexylacetic acid (5292-21-7) → methyl cyclohexylacetate (14352-61-5)

Guidance literature:

With alumina methanesulfonic acid; at 80 ℃; for 0.133333h; Microwave irradiation;

DOI:10.1080/00397911.2013.875210

Reference yield: 95.0%

((1R,2S)-2-Phenylsulfanyl-cyclohexyl)-acetic acid methyl ester (86769-61-1) → methyl cyclohexylacetate (14352-61-5)

Guidance literature:

With nickel; In acetone; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(00)81644-5

Reference yield: 91.0%

methyl cyclohexylacetoacetate → methyl cyclohexylacetate (14352-61-5)

Guidance literature:

With methanol; sodium bromide; electrolysis;

DOI:10.1246/cl.1996.143

upstream raw materials:

diazomethane

Cyclohexylacetic acid

cyclohexane

methyl diazoacetate

Downstream raw materials:

1-cyclohexyl-2,2’-diphenylethene

cyclohexaneacetic acid hydrazide

ethyl (2E)-4-cyclohexyl-2-butenoate

(Z)-4-Cyclohexyl-but-2-enoic acid ethyl ester

Refernces

• 1、 Swenton,Krubsack. "". . p. 786. Retrieved 1969.
• 2、 Tsukamoto, Yuya,Itoh, Satoshi,Kobayashi, Masaki,Obora, Yasushi. "Iridium-Catalyzed α-Methylation of α-Aryl Esters Using Methanol as the C1 Source". supporting information. p. 3299 - 3303. Retrieved 2019/05/10.
• 3、 Wei, Yu,Rao, Bin,Cong, Xuefeng,Zeng, Xiaoming. "Highly Selective Hydrogenation of Aromatic Ketones and Phenols Enabled by Cyclic (Amino)(alkyl)carbene Rhodium Complexes". supporting information. p. 9250 - 9253. Retrieved 2015/08/11.