Butyl formate

Base Information

• Chemical Name: Butyl formate
• CAS No.: 592-84-7
• Molecular Formula: C5H10O2
• Molecular Weight: 102.133
• Hs Code.: 29151300
• European Community (EC) Number: 209-772-5
• ICSC Number: 0402
• NSC Number: 6969
• UN Number: 1128
• UNII: 0Y9MZ7VM9P
• DSSTox Substance ID: DTXSID2060468
• Nikkaji Number: J1.648I
• Wikidata: Q734815
• Metabolomics Workbench ID: 49089
• ChEMBL ID: CHEMBL2270394
• Mol file: 592-84-7.mol

Synonyms:BUTYL FORMATE;592-84-7;n-Butyl formate;Formic acid, butyl ester;Butyl methanoate;n-Butyl methanoate;Formic acid butyl ester;FEMA No. 2196;Butylester kyseliny mravenci;NSC 6969;Butylester kyseliny mravenci [Czech];EINECS 209-772-5;UN1128;UNII-0Y9MZ7VM9P;HCOO(CH2)3CH3;BRN 1742108;0Y9MZ7VM9P;AI3-25265;CHEBI:88514;FEMA 2916;NSC-6969;n-Butyl formate [UN1128] [Flammable liquid];4-02-00-00028 (Beilstein Handbook Reference);N-butylformate;Formic acid butyl;Butyl formate, 97%;Formic acid-butyl ester;BFN (CHRIS Code);WLN: VHO4;SCHEMBL5847;BUTYL FORMATE [FHFI];Butyl formate, >=97%, FG;CHEMBL2270394;DTXSID2060468;NSC6969;BBL012218;MFCD00003296;NA1128;STL163559;AKOS000120688;LS-2598;UN 1128;VS-03239;F0051;(n-Butyl formate);FT-0623308;C21713;n-Butyl formate [UN1128] [Flammable liquid];Q734815;J-519962

Chemical Property of Butyl formate

Chemical Property:

• Appearance/Colour: Clear colorless to yellowish liquid
• Vapor Pressure: 26.6mmHg at 25°C
• Melting Point: -91 °C
• Refractive Index: n20/D 1.389(lit.)
• Boiling Point: 107.803 °C at 760 mmHg
• Flash Point: 13.889 °C
• PSA: 26.30000
• Density: 0.89 g/cm³
• LogP: 1.59540
• Storage Temp.: Flammables area
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 43.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37
• 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: CCCCOC=O
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The vapour is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Uses: Solvent for nitrocellulose, some types of cel- lulose acetate, many cellulose ethers, many natural and synthetic resins, lacquers, perfumes, organic synthesis (intermediate), flavoring.

Technology Process of Butyl formate

There total 79 articles about Butyl 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: 100.0%

n-Butyl chloride (109-69-3) + carbon dioxide (124-38-9,18923-20-1) → n-butyl formate (592-84-7)

Guidance literature:

With hydrogen; sodium hydrogencarbonate; {W(CO)5Cl}^(1-); In tetrahydrofuran; at 150 ℃; for 24h; under 80 - 85 Torr;

DOI:10.1021/ja00245a024

Reference yield: 95.0%

formic acid (64-18-6) + butan-1-ol (71-36-3) → n-butyl formate (592-84-7)

Guidance literature:

With aminopropylated mesoporous SBA-15 silica; at 40 ℃; for 0.0833333h; chemoselective reaction; Neat (no solvent);

DOI:10.1135/cccc2011131

Reference yield: 95.0%

formic acid ethyl ester (109-94-4) + butan-1-ol (71-36-3) → n-butyl formate (592-84-7)

Guidance literature:

phosphomolybdic acid hydrate; at 20 ℃; for 0.25h;

DOI:10.1007/s00706-006-0507-z

upstream raw materials:

formic acid

chlorosulfurous acid butyl ester

1-butoxy-1-formyloxy-ethane

dibutyl ether

Downstream raw materials:

butyl ethyl ether

tert-butyl formate

acetic acid butyl ester

N-benzylformamide

Refernces

• 1、 Altiokka, Mehmet R.,Akbay, Elif,Him, Zeynep. "Impregnation of 12-tungstophosphoric acid on tonsil: An effective catalyst for esterification of formic acid with n-butyl alcohol and kinetic modeling". . p. 18 - 25. Retrieved 2014.
• 2、 Liang, Fengying,Eda, Kazuo,Okazoe, Takashi,Wada, Akihiro,Mori, Nobuaki,Konishi, Katsuhiko,Tsuda, Akihiko. "Photo-on-Demand Synthesis of Vilsmeier Reagents with Chloroform and Their Applications to One-Pot Organic Syntheses". . p. 6504 - 6517. Retrieved 2021/05/06.
• 3、 Liang, Fengying,Suzuki, Yuto,Tsuda, Akihiko,Yanai, Masaki. "Photo-on-Demand Synthesis of Chloroformates with a Chloroform Solution Containing an Alcohol and Its One-Pot Conversion to Carbonates and Carbamates". . . Retrieved 2020/04/21.