Heptyl propionate

Base Information

• Chemical Name: Heptyl propionate
• CAS No.: 2216-81-1
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.268
• Hs Code.: 2915509000
• European Community (EC) Number: 218-698-2
• DSSTox Substance ID: DTXSID00176693
• Nikkaji Number: J95.503E
• Wikidata: Q3407512
• Mol file: 2216-81-1.mol

Synonyms:heptyl propanoate;HEPTYL PROPIONATE;n-Heptyl propionate;2216-81-1;Propanoic acid, heptyl ester;Propionic acid, heptyl ester;EINECS 218-698-2;AI3-21504;Heptylpropionate;propanoic acid heptyl ester;SCHEMBL1471551;DTXSID00176693;ENT 21504;AKOS006239512;Q3407512

Chemical Property of Heptyl propionate

Chemical Property:

• Vapor Pressure: 0.2mmHg at 25°C
• Melting Point: -50.9°C
• Refractive Index: 1.4137
• Boiling Point: 209.7°Cat760mmHg
• Flash Point: 79.8°C
• PSA: 26.30000
• Density: 0.874g/cm³
• LogP: 2.91000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

HEPTYL PROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC(=O)CC

Technology Process of Heptyl propionate

There total 6 articles about Heptyl propionate 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: 65.0%

heptyl 2-iodopropanoate (1612216-63-3) → heptyl propionate (2216-81-1)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); H2B(μ-3,5-dimethylpyrazole)2BH2; In toluene; at 85 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201400197

Reference yield:

decan-3-one (928-80-3) → octanoic acid ethyl ester (106-32-1) + heptyl propionate (2216-81-1)

Guidance literature:

With D-(+)-glucose; In aq. buffer; at 15 ℃; for 16h; Overall yield = 85.9 %;

DOI:10.1016/j.molcatb.2014.08.020

Reference yield:

heptyl 2-bromopropanoate (38674-99-6) → heptyl propionate (2216-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide / acetone / 3 h / Inert atmosphere; Reflux

2: H2B(μ-3,5-dimethylpyrazole)2BH2; 2,2'-azobis(isobutyronitrile) / toluene / 1 h / 85 °C / Inert atmosphere

With 2,2'-azobis(isobutyronitrile); H2B(μ-3,5-dimethylpyrazole)2BH2; sodium iodide; In acetone; toluene;

DOI:10.1002/chem.201400197

upstream raw materials:

zinc(II) propionate

n-heptan1ol

propionic acid

heptyl 2-bromopropanoate

Refernces

• 1、 Mungse, Harshal P.,Bhakuni, Niharika,Tripathi, Deependra,Sharma, Om P.,Sain, Bir,Khatri, Om P.. "Fractional distribution of graphene oxide and its potential as an efficient and reusable solid catalyst for esterification reactions". . p. 944 - 951. Retrieved 2015/02/02.
• 2、 Tehfe, Mohamad-Ali,Schweizer, Stephane,Chany, Anne-Caroline,Ysacco, Cedric,Clement, Jean-Louis,Gigmes, Didier,Morlet-Savary, Fabrice,Fouassier, Jean-Pierre,Neuburger, Markus,Tschamber, Theophile,Blanchard, Nicolas,Lalevee, Jacques. "On the synthesis, characterization and reactivity of n-heteroaryl-boryl radicals, a new radical class based on five-membered ring ligands". . p. 5054 - 5063. Retrieved 2014/05/06.