Propyl formate

Base Information

• Chemical Name: Propyl formate
• CAS No.: 110-74-7
• Molecular Formula: C4H8 O2
• Molecular Weight: 88.1063
• Hs Code.: 2915120000
• European Community (EC) Number: 203-798-0
• UN Number: 1281
• UNII: WO1ARV6GTW
• DSSTox Substance ID: DTXSID3059391
• Nikkaji Number: J2.451A
• Wikidata: Q421045
• Metabolomics Workbench ID: 48941
• ChEMBL ID: CHEMBL2270393
• Mol file: 110-74-7.mol

Synonyms:PROPYL FORMATE;110-74-7;Formic acid, propyl ester;n-Propyl formate;Propyl methanoate;Formiate de propyle;Propylester kyseliny mravenci;FEMA No. 2943;Formiate de propyle [French];UNII-WO1ARV6GTW;WO1ARV6GTW;HCOOCH2CH2CH3;Formic Acid Propyl Ester;EINECS 203-798-0;UN1281;Propylester kyseliny mravenci [Czech];Propyl ester of formic acid;BRN 1739272;AI3-24243;Propyl formates [UN1281] [Flammable liquid];4-02-00-00026 (Beilstein Handbook Reference);propyl ormate;Propyl formates;propyl form ate;Formic acid propyl;n-Propyl methanoate;FORMATE, PROPYL;Propyl formate, 97%;Propyl formate, >=97%;PROPYL FORMATE [MI];PROPYL FORMATE [FCC];PROPYL FORMATE [FHFI];CHEMBL2270393;DTXSID3059391;FEMA 2943;CHEBI:173323;MFCD00003295;NA1281;STL280312;AKOS015892831;LS-3073;F0058;FT-0631620;Propyl formates [UN1281] [Flammable liquid];Q421045;J-002470

Chemical Property of Propyl formate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 100 mm Hg ( 29.5 °C)
• Melting Point: −93 °C(lit.)
• Refractive Index: n20/D 1.375(lit.)
• Boiling Point: 81.9°Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: 0.896g/cm³
• LogP: 1.20530
• Storage Temp.: Flammables area
• Solubility.: water: soluble45 part(lit.)
• Water Solubility.: 22g/L(22 oC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 34.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%min ^*data from raw suppliers

Propyl Formate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Flammable, dangerous fire risk.
• Hazard Codes: F,Xi
• Statements: 11-36/37-67
• Safety Statements: 9-16-24-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCCOC=O
• Uses: Propyl formate was used in the synthesis of the radicals - CH3CH2CHOCHO, CH3CHCH2OCHO, and CH2CH2CH2OCHO by TiCl3.H2O2 radical-generating method. Flavoring.

Technology Process of Propyl formate

There total 36 articles about Propyl 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: 95.0%

propan-1-ol (71-23-8) + sodium salt of β-mercaptonaphthalene (39689-37-7) → propyl methanoate (110-74-7) + naphthalene-2-yl(propyl)sulfane (75052-54-9)

Guidance literature:

With carbon monoxide; at 150 ℃; for 10h; under 75006 Torr;

Reference yield: 91.0%

propan-1-ol (71-23-8) + formic acid (64-18-6) → propyl methanoate (110-74-7)

Guidance literature:

With pyridine; N,N'-dibromo-N,N'-(1,2-ethanediyl)bis(p-toluenesulfonamide); triphenylphosphine; In dichloromethane; at 20 ℃;

DOI:10.1080/10426500490466292

Reference yield: 86.0%

propan-1-ol (71-23-8) + D-Fructose (57-48-7,18875-34-8) → 5-(propoxymethyl)-2-furan carboxaldehyde (1917-66-4) + Dipropyl ether (111-43-3) + propyl methanoate (110-74-7) + n-propyl levulinate (645-67-0)

Guidance literature:

With poly(p-styrenesulfonic acid)-grafted carbon nanotubes; at 120 ℃; for 24h; chemoselective reaction; Sealed tube; Green chemistry;

DOI:10.1039/c3gc41139g

upstream raw materials:

propan-1-ol

formic acid

tripropyl orthoformate

benzoyl chloride

Downstream raw materials:

Isopropylbenzene

trimethyl(propoxy)silane

propyl nonanoate

propan-1-ol

Refernces

• 1、 Wesinger, Stefanie,Mendt, Matthias,Albert, Jakob. "Alcohol-Activated Vanadium-Containing Polyoxometalate Complexes in Homogeneous Glucose Oxidation Identified with 51V-NMR and EPR Spectroscopy". . p. 3662 - 3670. Retrieved 2021/06/18.
• 2、 Simkó, Dániel Cs.,Elekes, Péter,Pázmándi, Vivien,Novák, Zoltán. "Sulfonium Salts as Alkylating Agents for Palladium-Catalyzed Direct Ortho Alkylation of Anilides and Aromatic Ureas". supporting information. p. 676 - 679. Retrieved 2018/02/09.