(2H12)Cyclohexanol

Base Information

• Chemical Name: (2H12)Cyclohexanol
• CAS No.: 66522-78-9
• Molecular Formula: C6D12 O
• Molecular Weight: 112.065
• Hs Code.: 28459010
• European Community (EC) Number: 266-389-6
• DSSTox Substance ID: DTXSID90216719
• Nikkaji Number: J310.109F
• Wikidata: Q83093001
• Mol file: 66522-78-9.mol

Synonyms:Cyclohexanol-d12;66522-78-9;(2H12)Cyclohexanol;1-Cyclohexanol-d12;1,1,2,2,3,3,4,4,5,5,6-undecadeuterio-6-deuteriooxycyclohexane;EINECS 266-389-6;Cyclohexyl alcohol-d12;C6D12O;SCHEMBL1331031;HY-Y1217S;DTXSID90216719;1-[(?H)oxy](?H??)cyclohexane;Cyclohexanol-d12, 98 atom % D;C6-D12-O;MFCD00064167;AKOS015913582;CS-0534864;D98101;CYCLOHEXAN-1,2,2,3,3,4,4,5,5,6,6-D11-OL-D

Chemical Property of (2H12)Cyclohexanol

Chemical Property:

• Vapor Pressure: 1 mm Hg ( 21 °C)
• Melting Point: 20-22oC(lit.)
• Refractive Index: n20/D 1.4608(lit.)
• Boiling Point: 160-161 °C(lit.)
• Flash Point: 154 °F
• PSA: 20.23000
• Density: 1.059 g/mL at 25 °C
• LogP: 1.31140
• Storage Temp.: 4°C
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.164135953
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexanol-d12 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22-37/38
• Safety Statements: 36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)O
• Isomeric SMILES: [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])O[2H])([2H])[2H])([2H])[2H])[2H]
• Uses: Cyclohexanol-d12 is the deuterated analog of cyclohexane, general organic chemical solvent. It is also used as a precursor to the synthesis of nylon. Cyclohexanol-d12 (CAS# 66522-78-9) is a useful isotopically labeled research compound.

Technology Process of (2H12)Cyclohexanol

There total 2 articles about (2H12)Cyclohexanol 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: 17.0%

Cyclohexane-d12 (1735-17-7) → d12-cyclohexanol (66522-78-9)

Guidance literature:

With meso-tetrakis(pentafluorophenyl)porphirinato Fe(IV) nitrate; dihydrogen peroxide; In dichloromethane; acetonitrile; at 20 ℃; for 0.0833333h;

DOI:10.1002/1521-3773(20001016)39:20<3646::AID-ANIE3646>3.0.CO;2-Q

Reference yield:

→ d12-cyclohexanol (66522-78-9)

Guidance literature:

Na-Pentachlorphenoxid mit D2/Raney-Nickel in 6n NaOD/D2O bei 90grad unter Druck;

Reference yield: 64.0%

d12-cyclohexanol (66522-78-9) → perdeuterocyclohexanone (51209-49-5)

Guidance literature:

With pyridinium chlorochromate absorbed on neutral alumina; In hexane; Heating;

DOI:10.1071/CH01179

upstream raw materials:

Cyclohexane-d12

Downstream raw materials:

perdeuterocyclohexanone

Refernces

• 1、 Goldstein, Alan S.,Beer, Robert H.,Drago, Russell S.. "Catalytic oxidation of hydrocarbons with O2 or H2O2 using a sterically hindered ruthenium complex". . p. 2424 - 2429. Retrieved 2007/10/02.