Heptyl cyclohexanecarboxylate

Base Information

Chemical Name:Heptyl cyclohexanecarboxylate
CAS No.:92319-47-6
Molecular Formula:C14H26 O2
Molecular Weight:226.359
Hs Code.:2916209090
European Community (EC) Number:296-132-3
UNII:4WJ9G3758V
DSSTox Substance ID:DTXSID20238964
Nikkaji Number:J333.379E
Wikidata:Q83121302
Mol file:92319-47-6.mol

Synonyms:Heptyl cyclohexanecarboxylate;92319-47-6;4WJ9G3758V;EINECS 296-132-3;UNII-4WJ9G3758V;Cyclohexanecarboxylic acid heptyl ester;Cyclohexanecarboxylic acid, heptyl ester;heptylcyclohexanecarboxylate;Heptyl cyclohexanecarboxylate #;SCHEMBL11593166;DTXSID20238964

Suppliers and Price of Heptyl cyclohexanecarboxylate

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
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price

Total 1 raw suppliers

Chemical Property of Heptyl cyclohexanecarboxylate

Chemical Property:

Vapor Pressure:0.0037mmHg at 25°C
Boiling Point:280.8°Cat760mmHg
Flash Point:113°C
PSA：26.30000
Density:0.931g/cm³
LogP:4.08030
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:226.193280068
Heavy Atom Count:16
Complexity:183

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCOC(=O)C1CCCCC1

Technology Process of Heptyl cyclohexanecarboxylate

There total 3 articles about Heptyl cyclohexanecarboxylate 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: 90.0%

: 111-70-6
n-heptan1ol

: 141-53-7
sodium formate

: 110-83-8
cyclohexene

: 92319-47-6
heptyl cyclohexanecarboxylate

Guidance literature:: With 2-Hydroxymethylpyridine; dodecacarbonyl-triangulo-triruthenium; at 170 ℃; for 4h;
DOI:10.1021/jo501828j

Reference yield: 82.0%

: 629-04-9
1-Bromoheptane

: 2043-61-0
cyclohexanecarbaldehyde

: 92319-47-6
heptyl cyclohexanecarboxylate

Guidance literature:: With oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-bis(mesityl)imidazolium chloride; In tetrahydrofuran; at 50 ℃; for 48h; under 760.051 Torr;
DOI:10.1002/ejoc.201100937

Reference yield:

: 111-71-7
heptanal

: 110-83-8
cyclohexene

: 2890-69-9
Heptanoic acid cyclohexylmethyl ester

: 2611-02-1
cyclohexylmethyl cyclohexanecarboxylate

: 92319-47-6
heptyl cyclohexanecarboxylate

: 2043-61-0
cyclohexanecarbaldehyde

Guidance literature:: With carbon monoxide; dodecacarbonyl-triangulo-triruthenium; at 200 ℃; for 24h; under 14710.2 Torr; Product distribution; other reaction conditions (temp., time, amount catalyst, gas, pressure), other aliphatic aldehydes;
DOI:10.1021/jo00291a035