1,1'-Ethynylenedicyclohexanol

Base Information Edit

Chemical Name:1,1'-Ethynylenedicyclohexanol
CAS No.:78-54-6
Molecular Formula:C14H22 O2
Molecular Weight:222.327
Hs Code.:2906199090
European Community (EC) Number:636-065-2
NSC Number:4321
UNII:3AAU8H5L62
DSSTox Substance ID:DTXSID00228646
Nikkaji Number:J48.562D
Wikidata:Q72474680
Mol file:78-54-6.mol

Synonyms:1,1'-Ethynylenedicyclohexanol;78-54-6;1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexan-1-ol;1,1-ethynylenedicyclohexanol;Bis(1-hydroxycyclohexyl)acetylene;Cyclohexanol, 1,1'-(1,2-ethynediyl)bis-;Cyclohexanol, 1,1'-ethynylenedi-;NSC 4321;BRN 2101034;AI3-07113;3AAU8H5L62;NSC-4321;1,1'-(ethyne-1,2-diyl)bis(cyclohexan-1-ol);4-06-00-06076 (Beilstein Handbook Reference);Cyclohexanol, 1,1'-(1,2-ethynediyl)bis- (9CI);1,1'-Ethylenebiscyclohexanol;1,1'-ETHYNYLENE-BIS-CYCLOHEXANOL;UNII-3AAU8H5L62;Oprea1_797865;Cyclohexanol,1'-ethynylenedi-;SCHEMBL949427;DTXSID00228646;NSC4321;MFCD00021400;STK370847;1,1'-ethyne-1,2-diyldicyclohexanol;AKOS005445758;Cyclohexanol,1'-(1,2-ethynediyl)bis-;1,1'-(Ethyne-1,2-diyl)dicyclohexanol;WLN: L6TJ AQ A1UU1- AL6TJ AQ;LS-57168;CS-0317173;1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexanol;1,1'-(1,2-ETHYNEDIYL)BIS(CYCLOHEXANOL)

Suppliers and Price of 1,1'-Ethynylenedicyclohexanol

Supply Marketing:Edit

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
1,1''-Ethynylenedicyclohexanol
1g
$ 65.00

Sigma-Aldrich
1,1'-ETHYNYLENE-BIS-CYCLOHEXANOL Aldrich
1g
$ 33.40

American Custom Chemicals Corporation
1,1'-ETHYNYLENEDICYCLOHEXANOL 95.00%
250G
$ 4921.15

American Custom Chemicals Corporation
1,1'-ETHYNYLENEDICYCLOHEXANOL 95.00%
100G
$ 2729.34

Alfa Aesar
1,1'-Ethynylenedicyclohexanol, 97%
100g
$ 231.00

Alfa Aesar
1,1'-Ethynylenedicyclohexanol, 97%
25g
$ 69.60

Total 8 raw suppliers

Chemical Property of 1,1'-Ethynylenedicyclohexanol Edit

Chemical Property:

Melting Point:112.5°C
Refractive Index:1.4970 (estimate)
Boiling Point:323.51°C (rough estimate)
Flash Point:172.6oC
PSA：40.46000
Density:0.9906 (rough estimate)
LogP:2.38020
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:222.161979940
Heavy Atom Count:16
Complexity:267

Purity/Quality:

98%min ^*data from raw suppliers

1,1''-Ethynylenedicyclohexanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1CCC(CC1)(C#CC2(CCCCC2)O)O

Technology Process of 1,1'-Ethynylenedicyclohexanol

There total 23 articles about 1,1'-Ethynylenedicyclohexanol 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: 100.0%

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

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

: 78-54-6
1,2-di(1-hydroxycyclohexyl)acetylene

Guidance literature:: 1-Ethynylcyclohexan-1-ol; With ethylmagnesium bromide; In tetrahydrofuran; at 23 - 80 ℃;

cyclohexanone; In tetrahydrofuran; at 23 - 25 ℃;

With ammonium chloride; In tetrahydrofuran; water;
DOI:10.1002/chem.201000518

Reference yield: 91.0%

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

: 74-86-2,25067-58-7
acetylene

: 78-54-6
1,2-di(1-hydroxycyclohexyl)acetylene

Guidance literature:: acetylene; With potassium tert-butylate; In tetrahydrofuran; for 0.25h; Inert atmosphere;

cyclohexanone; In tetrahydrofuran; at 20 ℃; for 18.67h; Inert atmosphere;
DOI:10.1002/chem.200902190

Reference yield: 71.0%

: 156-60-5,43695-79-0
trans-1,2-dichloroethylene

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

: 78-54-6
1,2-di(1-hydroxycyclohexyl)acetylene

Guidance literature:: trans-1,2-dichloroethylene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃;

cyclohexanone; In tetrahydrofuran; hexane; at 0 ℃;

cyclohexanone; Further stages;
DOI:10.1002/anie.201108932