Cyclohexyl formate

Base Information

• Chemical Name: Cyclohexyl formate
• CAS No.: 4351-54-6
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 2915120000
• European Community (EC) Number: 224-415-3
• NSC Number: 11766
• UNII: ESO2F2836U
• DSSTox Substance ID: DTXSID2063426
• Nikkaji Number: J100.653C
• Wikidata: Q27277345
• Metabolomics Workbench ID: 44841
• Mol file: 4351-54-6.mol

Synonyms:CYCLOHEXYL FORMATE;Formic acid, cyclohexyl ester;4351-54-6;Cyclohexanol, formate;FEMA No. 2353;UNII-ESO2F2836U;ESO2F2836U;EINECS 224-415-3;NSC 11766;formic acid cyclohexyl ester;AI3-30436;Cyclohexyl ester of formic acid;NSC-11766;cyclohexyl ormate;SCHEMBL9432;DTXSID2063426;FEMA 2353;CYCLOHEXYL FORMATE [FHFI];CHEBI:173489;BCP29270;NSC11766;AKOS006273757;Formic acid, cyclohexyl ester (purified);FT-0693175;Q27277345

Chemical Property of Cyclohexyl formate

Chemical Property:

• Vapor Pressure: 1.78mmHg at 25°C
• Melting Point: 72.6-73.8 °C
• Refractive Index: 1.4430
• Boiling Point: 166.4°Cat760mmHg
• Flash Point: 53.3°C
• PSA: 26.30000
• Density: 0.98g/cm³
• LogP: 2.12800
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 84.9

Purity/Quality:

98%, ^*data from raw suppliers

CYCLOHEXYL FORMATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC=O
• Uses: Cyclohexyl Formate is a synthetic flavoring agent that is a moder- ately stable, colorless liquid of fruity odor. it should be stored in glass or tin containers. it is used in apple or plum flavors and gives a lift to fruity flavors. it has application in beverages, candy, ice cream, and baked goods at 3–11 ppm.

Technology Process of Cyclohexyl formate

There total 44 articles about Cyclohexyl formate 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: 98.0%

1-(tert-butyldimethylsiloxy)cyclohexane (67124-67-8) + N-[(dichlorophosphinoyloxy)methylene]-N-methylmethanammonium chloride (28528-49-6) → cyclohexyl formate (4351-54-6)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 5h;

DOI:10.1016/S0040-4039(99)01453-7

Reference yield: 98.0%

1-(tert-butyldimethylsiloxy)cyclohexane (67124-67-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → cyclohexyl formate (4351-54-6)

Guidance literature:

With trichlorophosphate; at 20 ℃; for 5h;

DOI:10.1055/s-2004-815435

Reference yield: 97.0%

formic acid (64-18-6) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → cyclohexyl formate (4351-54-6)

Guidance literature:

(η⁵-C4Ph4COHOC4Ph4-η⁵)(μ-H)(CO)4Ru2; at 100 ℃; for 0.66h;

DOI:10.1016/0022-328X(95)05995-2

upstream raw materials:

formamide

cyclohexanol

formic acid

cyclohexene

Downstream raw materials:

cyclohexanone

2-cyclohexyl-p-xylene

benzoic acid cyclohexyl ester

4-methoxybenzyl-(4'-methoxyphenyl)-sulfide

Refernces

• 1、 Song, Guixian,Xin, Feng,Chen, Jingshuai,Yin, Xiaohong. "Photocatalytic reduction of CO2 in cyclohexanol on CdS-TiO 2 heterostructured photocatalyst". . p. 90 - 95. Retrieved 2014.
• 2、 Xue, Wei,Zhao, Hepan,Yao, Jie,Li, Fang,Wang, Yanji. "Esterification of cyclohexene with formic acid over a peanut shell-derived carbon solid acid catalyst". . p. 769 - 777. Retrieved 2016.
• 3、 Song, G.,Wu, X.. "CdS/BiOBr Nanocomposite with Enhanced Activity under Visible Light for Photocatalytic Reduction of CO2 in Cyclohexanol". . p. S1 - S8. Retrieved 2022/03/31.
• 4、 -. "IRON-CATALYZED CROSS-COUPLING OF METHHANOL WITH SECONDARY OR TERTIARY ALCOHOLS TO PRODUCE FORMATE ESTERS". Paragraph 0099-0120; 0122; 0131. . Retrieved 2019/02/17.