2-Acetylcyclohexanone

Base Information

Chemical Name:2-Acetylcyclohexanone
CAS No.:874-23-7
Deprecated CAS:125117-37-5
Molecular Formula:C8H12O2
Molecular Weight:140.182
Hs Code.:29142990
European Community (EC) Number:212-858-5
NSC Number:7713
DSSTox Substance ID:DTXSID0049365
Nikkaji Number:J79.994G
ChEMBL ID:CHEMBL3187909
Mol file:874-23-7.mol

Synonyms:2-acetylcyclohexanone

Suppliers and Price of 2-Acetylcyclohexanone

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

TRC
2-Acetylcyclohexanone
50g
$ 150.00

TCI Chemical
2-Acetylcyclohexanone >97.0%(GC)
10mL
$ 28.00

TCI Chemical
2-Acetylcyclohexanone >97.0%(GC)
25mL
$ 75.00

Sigma-Aldrich
2-Acetylcyclohexanone 97%
5g
$ 34.20

Sigma-Aldrich
2-Acetylcyclohexanone 97%
25g
$ 110.00

Medical Isotopes, Inc.
2-Acetylcyclohexanone
100 g
$ 1375.00

Matrix Scientific
2-Acetylcyclohexanone 97%
10g
$ 76.00

Matrix Scientific
2-Acetylcyclohexanone 97%
1g
$ 47.00

Frontier Specialty Chemicals
2-Acetylcyclohexanone 97%
5g
$ 43.00

Chemenu
2-Acetylcyclohexanone 95+%
500g
$ 736.00

Total 64 raw suppliers

Chemical Property of 2-Acetylcyclohexanone

Chemical Property:

Appearance/Colour:clear colorless to light yellow liquid
Vapor Pressure:0.00189mmHg at 25°C
Melting Point:-11°C
Refractive Index:n20/D 1.509(lit.)
Boiling Point:257.1 °C at 760 mmHg
PKA:10.91±0.20(Predicted)
Flash Point:79.4 °C
PSA：34.14000
Density:1.13 g/cm³
LogP:1.33470
Storage Temp.:Store below +30°C.
Water Solubility.:Not miscible in water.
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.083729621
Heavy Atom Count:10
Complexity:161

Purity/Quality:

99%, ^*data from raw suppliers

2-Acetylcyclohexanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 23-24/25

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1CCCCC1=O
Uses 2-Acetylcyclohexanone is used in the synthesis of 1-(pyridyl)ethanol derivatives that can reduce keto-esters and ketones. Also used in the synthesis of phenothiazine derivatives that can inhibit prote in farnesyltransferase molecules and some that show anti-proliferative activity. 2-Acetylcyclohexanone was used in the synthesis of anilinoethanolamines.

Technology Process of 2-Acetylcyclohexanone

There total 36 articles about 2-Acetylcyclohexanone 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: 86.0%

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 108-24-7
acetic anhydride

: 874-23-7,125117-37-5
2-acetylcyclohexanone

Guidance literature:: With tetrachlorosilane; zinc(II) chloride; In dichloromethane; at 25 ℃; for 5h;
DOI:10.1080/104265090507920

Reference yield: 81.0%

: 10151-22-1
3-allylacetylacetone

: 874-23-7,125117-37-5
2-acetylcyclohexanone

Guidance literature:: dichloro bis(acetonitrile) palladium(II); In 1,4-dioxane; at 20 ℃; for 16h;
DOI:10.1021/ja011764x

Reference yield: 72.0%

: 670-80-4
4-cyclohexen-1-ylmorpholine

: 75-36-5
acetyl chloride

: 874-23-7,125117-37-5
2-acetylcyclohexanone

Guidance literature:: 4-cyclohexen-1-ylmorpholine; acetyl chloride; With triethylamine; In toluene; at 20 - 35 ℃;

With hydrogenchloride; water; In toluene; for 1h; Reflux;