Methyl butyrate

Base Information

• Chemical Name: Methyl butyrate
• CAS No.: 623-42-7
• Molecular Formula: C5H10O2
• Molecular Weight: 102.133
• Hs Code.: 29156000
• European Community (EC) Number: 210-792-1
• NSC Number: 9380
• UN Number: 1237
• UNII: CGX598508O
• DSSTox Substance ID: DTXSID5047083
• Nikkaji Number: J45.010C
• Wikipedia: Methyl_butyrate
• Wikidata: Q420701
• Metabolomics Workbench ID: 4173
• ChEMBL ID: CHEMBL15859
• Mol file: 623-42-7.mol

Synonyms:methyl butanoate;methyl butyrate

Chemical Property of Methyl butyrate

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 40 mm Hg ( 30 °C)
• Melting Point: -85--84°C
• Refractive Index: n20/D 1.385(lit.)
• Boiling Point: 104.2 °C at 760 mmHg
• Flash Point: 11.7 °C
• PSA: 26.30000
• Density: 0.891 g/cm³
• LogP: 0.95950
• Storage Temp.: Flammables area
• Solubility.: water: soluble60 part
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 59.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Methyl butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xn, Xi
• Hazard Codes: F,Xn,Xi
• Statements: 20-36/37/38-11
• Safety Statements: 16-26-36-33-29-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCCC(=O)OC
• Description: Methyl butyrate, also known as methyl butanoate , is an ester with a fruity odor pineapple, apple, and strawberry. At room temperature, it is a colorless liquid with low solubility in water, upon which it floats to form an oily layer. Although it is flammable, it has a relatively low vapor pressure ( 40 mmHg at 30°C), so it can be safely handled at room temperature without special safety precautions.
• Uses: Methyl butyrate is used as a solvent for ethylcellulose and nitrocellulose resins. It is also used in lacquers and perfumes and in the manufacture of rum and fruit flavors.

Technology Process of Methyl butyrate

There total 131 articles about Methyl butyrate 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: 81.0%

methanol (67-56-1) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + carbon monoxide (201230-82-2) → Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + butanoic acid methyl ester (623-42-7)

Guidance literature:

With methanesulfonic acid; palladium diacetate; bis(phosphaadamantyl)diphosphine; at 60 ℃;

DOI:10.1039/b103754b

Reference yield: 20.0%

{3-ferrocenylpyrazolyl-methylenepyridine}methylpalladium(II) chloride + sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate (79060-88-1) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → butanoic acid methyl ester (623-42-7) + methyl but-3-enoate (3724-55-8) + bis{3-ferrocenylpyrazolyl-methylenepyridine}palladium tetrakis(3,5-trifluoro-methylphenyl)borate + palladium (7440-05-3)

Guidance literature:

In dichloromethane; for 5h; Schlenk technique; Inert atmosphere; Darkness;

DOI:10.1016/j.jorganchem.2015.11.003

Reference yield: 19.0%

{3-ferrocenyl-5-methylpyrazolyl-methylenepyridine}methylpalladium(II) chloride + sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate (79060-88-1) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → butanoic acid methyl ester (623-42-7) + methyl but-3-enoate (3724-55-8) + bis{3-ferrocenyl-5-methylpyrazolyl-methylenepyridine}palladium(II) tetrakis-(3,5-trifluoromethylphenyl)borate + palladium (7440-05-3)

Guidance literature:

In dichloromethane; for 5h; Schlenk technique; Inert atmosphere; Darkness;

DOI:10.1016/j.jorganchem.2015.11.003

upstream raw materials:

2-furoic acid methyl ester

propene

Methyl formate

dimethyl sulfate

Downstream raw materials:

5-propylnonan-5-ol

methyl 2-ethyl-3-oxohexanoate

5-ethyl-2-thiouracil

butanoic acid anhydride

Refernces

• 1、 Yoda, Eisuke. "Transesterification of ethyl butyrate with methanol over 1-butyl-3-methylimidazolium exchanged mordenite". . p. 45 - 50. Retrieved 2010.
• 2、 Lapidus, A. L.,Gil'denberg, E. Z.,Krasnova, L. L.,Pirozhkov, S. D.. "CARBONYLATION OF PROPYLENE WITH CARBON MONOXIDE IN THE PRESENCE OF Ru3(CO)12 CATALYSTS". . p. 2093 - 2096. Retrieved 1981.
• 3、 Wang, Chuanxu,Yuan, Fulong,Liu, Lijing,Niu, Xiaoyu,Zhu, Yujun. "Transesterification of Tributyrin and Dehydration of Fructose over a Carbon-Based Solid Acid Prepared by Carbonization and Sulfonation of Glucose". . p. 1657 - 1665. Retrieved 2015.
• 4、 Okano, Tamon,Kobayashi, Teruyuki,Konishi, Hisatoshi,Kiji, Jitsuo. "Application of the Water-gas Shift Reaction. I. Hydrogenation and Hydroformylation Reactions of Olefins with Carbon Monoxide and Water Catalyzed by Rhodium Phosphine Complexes". . p. 3799 - 3805. Retrieved 1981.
• 5、 Dange, P. N.,Sharma, A.,Rathod, V. K.. "Synthesis of methyl butyrate using heterogeneous catalyst: Kinetic studies". . p. 1537 - 1546,10. Retrieved 2014.
• 6、 Kobayashi, Toshimichi,Nishino, Soshi,Miura, Masahiro,Hirano, Koji. "Synthesis of β-Silyl-α-amino Acid Derivatives by Cu-Catalyzed Regio- and Enantioselective Silylamination of α,β-Unsaturated Esters". supporting information. p. 1418 - 1422. Retrieved 2022/02/14.
• 7、 -. "MATERIALS COMPRISING CARBON-EMBEDDED COBALT NANOPARTICLES, PROCESSES FOR THEIR MANUFACTURE, AND USE AS HETEROGENEOUS CATALYSTS". Page/Page column 17. . Retrieved 2021/03/13.