Pentyl formate

Base Information

• Chemical Name: Pentyl formate
• CAS No.: 638-49-3
• Molecular Formula: C7H5 Cl3
• Molecular Weight: 116.16
• Hs Code.: 2915120000
• European Community (EC) Number: 211-340-6
• NSC Number: 72023
• UN Number: 1109
• UNII: P46O2510D8
• DSSTox Substance ID: DTXSID2047698
• Nikkaji Number: J6.926D
• Wikidata: Q3077515
• Metabolomics Workbench ID: 48990
• Mol file: 638-49-3.mol

Synonyms:Pentyl formate;Amyl formate;Formic acid, pentyl ester;638-49-3;n-Amyl formate;n-Pentyl methanoate;N-PENTYL FORMATE;Amyl methanoate;Pentyl methanoate;m-Pentyl formate;FEMA No. 2068;Formic Acid n-Amyl Ester;EINECS 211-340-6;NSC 72023;BRN 1743363;AI3-24242;UNII-P46O2510D8;NSC-72023;P46O2510D8;Amyl formate fcc;Amylformiat;Pentylformiat;pentyl ormate;3-Pentanol formate;Formic Acid Amyl Ester;formic acid pentyl ester;1-PENTYL FORMATE;WLN: VHO5;AMYL FORMATE [FCC];AMYL FORMATE [FHFI];Methanoic acid, pentyl ester;SCHEMBL28169;Amyl formate, >=95%, FG;DTXSID2047698;FEMA 2068;CHEBI:173428;NSC72023;MFCD00040440;NA1109;UN1109;AKOS024390830;LS-2561;F0049;FT-0622366;Q3077515

Chemical Property of Pentyl formate

Chemical Property:

• Vapor Pressure: 70 hPa (50 °C)
• Melting Point: -73.5oC
• Refractive Index: n20/D 1.399(lit.)
• Boiling Point: 132°C(lit.)
• Flash Point: 83°F
• PSA: 26.30000
• Density: 0.884g/mLat 25°C(lit.)
• LogP: 1.98550
• Storage Temp.: Store below +30°C.
• Water Solubility.: 2.904g/L(22 oC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 52.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37
• Safety Statements: 24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCCCCOC=O
• Uses: Solvent for cellulose esters, resins; solvent mixtures; films and coatings; perfume for leather; flavoring.

Technology Process of Pentyl formate

There total 21 articles about Pentyl 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%

pentan-1-ol (71-41-0) + formic acid ethyl ester (109-94-4) → n-pentyl formate (638-49-3)

Guidance literature:

With K5; for 0.333333h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

Reference yield: 94.0%

1-Chloropentane (543-59-9) + sodium formate (141-53-7) → n-pentyl formate (638-49-3)

Guidance literature:

tetrabutylammomium bromide; at 120 ℃; for 2h;

DOI:10.1055/s-1986-31769

Reference yield: 90.0%

pentan-1-ol (71-41-0) + N,N-Dimethylformamide Hydrochloride (3397-76-0,100508-13-2) → 1-Chloropentane (543-59-9) + n-pentyl formate (638-49-3) + N,N-dimethylammonium chloride (506-59-2)

Guidance literature:

at 100 ℃; for 0.833333h; Product distribution; different alcohols;

upstream raw materials:

formic acid

pentan-1-ol

1-Chloropentane

sodium formate

Downstream raw materials:

2-methyl-1H-indole-3-carbaldehyde

2-hydroxymethylene-5α-cholestan-3-one

sulfuric acid monopentyl ester

Cyclohexanone-2-carbaldehyde

Refernces

• 1、 Ferroni, Felix Martin,Tolmie, Carmien,Smit, Martha Sophia,Opperman, Diederik Johannes. "Alkyl Formate Ester Synthesis by a Fungal Baeyer–Villiger Monooxygenase". . p. 515 - 517. Retrieved 2017/03/22.
• 2、 -. "MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS". . . Retrieved 2014/03/21.