trans-4-tert-Amylcyclohexanol

Base Information

Chemical Name:trans-4-tert-Amylcyclohexanol
CAS No.:5349-51-9
Molecular Formula:C11H22 O
Molecular Weight:170.295
Hs Code.:2906199090
European Community (EC) Number:226-311-3
NSC Number:21165,1246
UNII:X0DQ676P08,CE5FR4RF6H
DSSTox Substance ID:DTXSID9040716,DTXSID901276340
Nikkaji Number:J217.914H
Wikidata:Q27293175
ChEMBL ID:CHEMBL3183330
Mol file:5349-51-9.mol

Synonyms:5349-51-9;20698-30-0;4-(tert-Pentyl)cyclohexanol;4-Tert-Amylcyclohexanol;trans-4-tert-Amylcyclohexanol;CIS-4-TERT-PENTYLCYCLOHEXANOL;trans-4-(tert-Pentyl)cyclohexanol;20698-29-7;TRANS-4-TERT-PENTYLCYCLOHEXANOL;p-tert-Amylcyclohexanol;4-tert-Pentylcyclohexanol;Cyclohexanol, 4-(1,1-dimethylpropyl)-;4-(2-methylbutan-2-yl)cyclohexan-1-ol;Cyclohexanol, 4-tert-pentyl-;4-(2-methylbutan-2-yl)cyclohexanol;4-trans-tert-pentylcyclohexanol;4-tert-Amylcyclohexanol, trans-;NSC 1246;Cyclohexanol, 4-(1,1-dimethylpropyl)-, cis-;EINECS 226-311-3;NSC 21165;CE5FR4RF6H;Cyclohexanol, 4-tert-pentyl-, trans-;cis-4-tert-Amylcyclohexanol;4-cis-tert-pentylcyclohexanol;UNII-X0DQ676P08;4-tert-Amylcyclohexanol, cis-;DTXSID9040716;Cyclohexanol, 4-(1,1-dimethylpropyl)-, trans-;X0DQ676P08;Cyclohexanol, 4-tert-pentyl-, cis-;(1S,4S)-4-(2-Methylbutan-2-yl)cyclohexan-1-ol;UNII-CE5FR4RF6H;4-tert-Pentylcyclohexanol #;trans-4-t-Pentylcyclohexanol;ethyl?pyridazine-4-carboxylate;4 - tert - pentylcyclohexanol;SCHEMBL1153388;SCHEMBL1162181;SCHEMBL2777600;CHEMBL3183330;DTXCID7020716;4-(tert-pentyl)cyclohexan-1-ol;PARA-TERT-AMYLCYCLOHEXANOL;NSC1246;DTXSID901276340;(1s,4s)-4-tert-pentylcyclohexanol;NSC-1246;NSC21165;Tox21_301635;MFCD00019356;MFCD00067157;NSC-21165;AKOS000249586;AKOS006273561;4-(1,1-dimethyl-propyl)-cyclohexanol;4-tert-Pentylcyclohexanol, cis + trans;NCGC00164171-01;NCGC00164171-02;NCGC00255634-01;LS-57359;trans-4-(1,1-Dimethylpropyl)cyclohexanol;CAS-5349-51-9;CS-0204834;FT-0635639;FT-0706626;trans-4-(1,1-dimethyl-propyl)-cyclohexanol;trans-4-(l, l-dimethyl-propyl)-cyclohexanol;Cyclohexanol,4-(1,1-dimethylpropyl)-,trans-;4-tert-Amylcyclohexanol, mixture of cis and trans;A870703;Q27293175;Z335244810;(1R,4R)-4-(2-METHYLBUTAN-2-YL)CYCLOHEXAN-1-OL

Suppliers and Price of trans-4-tert-Amylcyclohexanol

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

Sigma-Aldrich
4-TERT-AMYLCYCLOHEXANOL Aldrich
250mg
$ 144.00

Matrix Scientific
4-(tert-Pentyl)cyclohexanol 95+%
1g
$ 189.00

Matrix Scientific
4-(tert-Pentyl)cyclohexanol 95+%
5g
$ 588.00

Crysdot
4-(tert-Pentyl)cyclohexanol 95+%
1g
$ 347.00

Chemenu
4-(tert-pentyl)cyclohexan-1-ol 95%
1g
$ 327.00

Total 17 raw suppliers

Chemical Property of trans-4-tert-Amylcyclohexanol

Chemical Property:

Vapor Pressure:0.0198mmHg at 25°C
Melting Point:24-27 °C(lit.)
Refractive Index:1.4637 (estimate)
Boiling Point:154-155 °C40 mm Hg(lit.)
Flash Point:90.5°C
PSA：20.23000
Density:0.914g/cm³
LogP:2.97370
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:170.167065321
Heavy Atom Count:12
Complexity:132

Purity/Quality:

97% ^*data from raw suppliers

4-TERT-AMYLCYCLOHEXANOL Aldrich ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)(C)C1CCC(CC1)O

Technology Process of trans-4-tert-Amylcyclohexanol

There total 3 articles about trans-4-tert-Amylcyclohexanol 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:

: 80-46-6
4-t-amylphenol

: 5349-51-9
4-(1,1-dimethylpropyl)cyclohexan-1-ol

Guidance literature:: With nickel; at 125 ℃; under 73550.8 Torr; Hydrogenation;
DOI:10.1021/ja01265a049 DOI:10.1021/ja01269a035

Reference yield:

: 80-46-6
4-t-amylphenol

: 109-66-0,8031-35-4,9078-70-0
pentane

: 5349-51-9
4-(1,1-dimethylpropyl)cyclohexan-1-ol

Guidance literature:: at 125 ℃; under 73550.8 Torr; Hydrogenation;
DOI:10.1021/ja01265a049 DOI:10.1021/ja01269a035

Reference yield:

: 16587-71-6
4-tert-amylcyclohexanone

: 5349-51-9
4-(1,1-dimethylpropyl)cyclohexan-1-ol

Guidance literature:: HLAD-NADH; In ethanol; water; at 0 - 45 ℃; Product distribution; Kinetics; Thermodynamic data; in Tris-HCl buffer at pH 8,5; studied: stereochemistry, effect of substituent chain length and branching; determined: k, E_A, ΔH^*, ΔS^*, ΔG^*;