Isopulegyl formate

Base Information

• Chemical Name: Isopulegyl formate
• CAS No.: 10588-15-5
• Molecular Formula: C11H18 O2
• Molecular Weight: 182.263
• Hs Code.: 2915120000
• European Community (EC) Number: 234-192-4
• DSSTox Substance ID: DTXSID70864292
• Mol file: 10588-15-5.mol

Synonyms:Isopulegyl formate;10588-15-5;p-Menth-8-en-3-ol, formate;(5-methyl-2-prop-1-en-2-ylcyclohexyl) formate;Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, formate, (1R,2S,5R)-;[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] formate;EINECS 234-192-4;SCHEMBL3506090;DTXSID70864292;Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 1-formate, (1R,2S,5R)-;2-i-propenyl-5-methylcyclohexyl formate;5-methyl-2-(prop-1-en-2-yl)cyclohexyl formate;Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, formate, (1theta-(1alpha,2beta,5alpha))-

Chemical Property of Isopulegyl formate

Chemical Property:

• Vapor Pressure: 0.0603mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 232°Cat760mmHg
• Flash Point: 88.2°C
• PSA: 26.30000
• Density: 0.94g/cm³
• LogP: 3.17620
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)OC=O)C(=C)C

Technology Process of Isopulegyl formate

There total 3 articles about Isopulegyl 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: 50.0%

(+/-)-isopulegyl xanthenoate → formic acid p-menth-8-en-3-yl ester (10588-15-5) + (3aS,7aR)-3,3,6-Trimethyl-hexahydro-benzofuran-2-one (80242-82-6)

Guidance literature:

In ethanol; Irradiation;

DOI:10.1016/S0040-4039(01)01296-5

Reference yield:

xanthene-9-carboxylic acid (82-07-5) → formic acid p-menth-8-en-3-yl ester (10588-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: DCC

2: 1 percent / ethanol / Irradiation

With dicyclohexyl-carbodiimide; In ethanol;

DOI:10.1016/S0040-4039(01)01296-5

Reference yield:

formic acid (64-18-6) + acetic anhydride (108-24-7) → formic acid p-menth-8-en-3-yl ester (10588-15-5)

Guidance literature:

at 50 ℃; levorotatory substance;

upstream raw materials:

formic acid

acetic anhydride

xanthene-9-carboxylic acid