1-Acetylcyclohexyl acetate

Base Information

Chemical Name:1-Acetylcyclohexyl acetate
CAS No.:52789-73-8
Molecular Formula:C10H16O3
Molecular Weight:184.235
Hs Code.:2915390090
European Community (EC) Number:258-186-6
UNII:987IZ840TA
DSSTox Substance ID:DTXSID10200771
Nikkaji Number:J295.802C
Wikidata:Q27272095
Metabolomics Workbench ID:48638
Mol file:52789-73-8.mol

Synonyms:1-Acetylcyclohexyl acetate;(1-acetylcyclohexyl) acetate;52789-73-8;Methyl 1-acetoxycyclohexyl ketone;1-Acetoxy-1-acetylcyclohexane;1-Acetoxycyclohexyl methyl ketone;FEMA No. 3701;1-Hydroxycyclohexyl methyl ketone acetate;Ketone, 1-hydroxycyclohexyl methyl, acetate;1-(1-(Acetyloxy)cyclohexyl)ethanone;1-acetyl cyclohexyl acetate;Ethanone, 1-(1-(acetyloxy)cyclohexyl)-;UNII-987IZ840TA;987IZ840TA;EINECS 258-186-6;1-[1-(Acetyloxy)cyclohexyl]ethanone;Ethanone, 1-[1-(acetyloxy)cyclohexyl]-;SCHEMBL3505624;FEMA 3701;DTXSID10200771;CHEBI:169562;1-(1-(Acetyloxy)cyclohexyl)-Ethanone;1-[1-(Acetyloxy)-1-cyclohexyl]ethanone, 9CI;METHYL 1-ACETOXYCYCLOHEXYL KETONE [FHFI];Q27272095

Suppliers and Price of 1-Acetylcyclohexyl acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 1-Acetylcyclohexyl acetate

Chemical Property:

Vapor Pressure:0.0224mmHg at 25°C
Refractive Index:1.46
Boiling Point:249.8 °C at 760 mmHg
Flash Point:103.1 °C
PSA：43.37000
Density:1.04 g/cm³
LogP:1.84140
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:184.109944368
Heavy Atom Count:13
Complexity:214

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1(CCCCC1)OC(=O)C
Description Methyl 1-acetoxycyclohexyl ketone has a sweet, fruity, floral, honey odor.

Technology Process of 1-Acetylcyclohexyl acetate

There total 14 articles about 1-Acetylcyclohexyl 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: 93.0%

: 5240-32-4
1-acetoxy-1-ethynyl cyclohexane

: 52789-73-8
acetic acid 1-acetyl-cyclohexyl ester

Guidance literature:: With [(C₆H₅N₃)Au(PPh₃)]OTf; water; In acetone; at 20 ℃; Inert atmosphere;
DOI:10.1021/ja303862z

Reference yield: 54.0%

: 78-27-3
1-Ethynylcyclohexan-1-ol

: 64-19-7,77671-22-8
acetic acid

: 52789-73-8
acetic acid 1-acetyl-cyclohexyl ester

Guidance literature:: With maleic anhydride; tributylphosphine; bis(ν⁵-cyclooctadienyl)ruthenium; acetic acid; In toluene; at 80 ℃; for 5h;
DOI:10.1021/jo00387a024