Cyclohexylpropyl formate

Base Information

• Chemical Name: Cyclohexylpropyl formate
• CAS No.: 1129-67-5
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• European Community (EC) Number: 214-453-9
• DSSTox Substance ID: DTXSID30920944
• Nikkaji Number: J203.374G
• Wikidata: Q82893660
• Mol file: 1129-67-5.mol

Synonyms:3-cyclohexylpropyl formate;Cyclohexylpropyl formate;1129-67-5;EINECS 214-453-9;Cyclohexane-1-propanol=formate;SCHEMBL3258085;DTXSID30920944

Chemical Property of Cyclohexylpropyl formate

Chemical Property:

• Vapor Pressure: 0.0493mmHg at 25°C
• Refractive Index: 1.446
• Boiling Point: 235.7°Cat760mmHg
• Flash Point: 121.8°C
• PSA: 26.30000
• Density: 0.942g/cm³
• LogP: 3.15580
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCCOC=O

Technology Process of Cyclohexylpropyl formate

There total 3 articles about Cyclohexylpropyl 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:

allyl 3-cyclohexylpropionate (2705-87-5) → cyclohexylpropyl formate (1129-67-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Na / ethanol / Heating

2: TsOH / benzene / 18 h / Heating

With sodium; toluene-4-sulfonic acid; In ethanol; benzene;

DOI:10.1039/jr9650001939

Reference yield:

formic acid (64-18-6) + 3-cyclohexylpropan-1-ol (1124-63-6) → cyclohexylpropyl formate (1129-67-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 18h; Heating;

DOI:10.1039/jr9650001939

Reference yield:

3-formyloxy-propene (1838-59-1) + cyclohexane (110-82-7,25012-93-5) → cyclohexylpropyl formate (1129-67-5)

Guidance literature:

With dibenzoyl peroxide; for 24h; Heating;

DOI:10.1039/jr9650001939

upstream raw materials:

formic acid

3-cyclohexylpropan-1-ol

3-formyloxy-propene

cyclohexane