1-Hydroxycyclohexyl phenyl ketone

Base Information

• Chemical Name: 1-Hydroxycyclohexyl phenyl ketone
• CAS No.: 947-19-3
• Deprecated CAS: 127546-04-7,150080-97-0,97396-91-3,191113-92-5,1237753-58-0,910027-96-2,1345834-99-2,1467104-17-1,858356-32-8,1237753-58-0,150080-97-0,191113-92-5,910027-96-2,97396-91-3
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• Hs Code.: H10COC6H5 MOL WT. 204.27
• European Community (EC) Number: 213-426-9
• NSC Number: 401908
• UNII: E7JVN2243X
• DSSTox Substance ID: DTXSID9044748
• Nikkaji Number: J39.368A
• Wikidata: Q27276972
• Mol file: 947-19-3.mol

Synonyms:1-HCHPK;1-hydroxycyclohexyl phenyl ketone

Chemical Property of 1-Hydroxycyclohexyl phenyl ketone

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 47-50 °C(lit.)
• Refractive Index: 1.607
• Boiling Point: 339 °C at 760 mmHg
• PKA: 13.23±0.20(Predicted)
• Flash Point: 144.2 °C
• PSA: 37.30000
• Density: 1.141 g/cm³
• LogP: 2.56450
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• Water Solubility.: Slightly soluble in water (1108 mg/L at 25°C). Soluble in acetone, butyl acetate, methanol and toluene.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

99%MIN ^*data from raw suppliers

1-Benzoylcyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C(=O)C2=CC=CC=C2)O
• Uses: 1-Hydroxycyclohexyl phenyl ketone is used as photoinitiator in UV-radiation-curable technologies which are used in various applications and industry branches such as printing and packaging, coatings, furniture and flooring and adhesives.

Technology Process of 1-Hydroxycyclohexyl phenyl ketone

There total 41 articles about 1-Hydroxycyclohexyl phenyl ketone 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: 95.0%

1-hydroxy-1-cyclohexanecarbonitrile (931-97-5) + chlorobenzene (108-90-7) → 1-hydroxycyclohexyl phenyl ketone (947-19-3)

Guidance literature:

With sodium; In tetrahydrofuran; at -5 - 20 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

Reference yield: 95.0%

1-(hydroxy(phenyl)methyl)cyclohexan-1-ol (1135-72-4) → 1-hydroxycyclohexyl phenyl ketone (947-19-3)

Guidance literature:

With oxone||potassium monopersulfate triple salt; potassium bromide; In water; acetonitrile; at 70 ℃; for 1h; Darkness;

DOI:10.1021/acs.orglett.1c02188

Reference yield: 86.5%

1-trimethylsilanyloxycyclohexanecarbonitrile (24731-36-0) + phenylmagnesium bromide (100-58-3) → 1-hydroxycyclohexyl phenyl ketone (947-19-3)

Guidance literature:

In diethyl ether; for 3h; Ambient temperature;

DOI:10.1248/cpb.43.1294

upstream raw materials:

1-tetrahydropyran-2-yloxy-cyclohexanecarbonitrile

1-hydroxy-1-cyclohexanecarbonitrile

2-methoxy-2-phenyl-1-oxa-spiro[2.5]octane

(1-bromocyclohexyl)(phenyl)methanone

Downstream raw materials:

1-(hydroxy(phenyl)methyl)cyclohexan-1-ol

1-hydroxy-α-methyl-α-phenyl-cyclohexanemethanol

8,16-diphenyl-7,15-dioxa-dispiro[5.2.5.2]hexadecane-8,16-diol

(1-benzoyloxy-cyclohexyl)-phenyl ketone

Refernces

• 1、 Tan, Wen-Yun,Lu, Yi,Zhao, Jing-Feng,Chen, Wen,Zhang, Hongbin. "Oxidation of Primary Alcohols and Aldehydes to Carboxylic Acids via Hydrogen Atom Transfer". supporting information. p. 6648 - 6653. Retrieved 2021/09/08.
• 2、 -. "Synthesis method of photoinitiator 1-hydroxycyclohexyl phenyl ketone". . . Retrieved 2020/12/05.