Isoamyl propionate

Base Information

• Chemical Name: Isoamyl propionate
• CAS No.: 105-68-0
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Hs Code.: 29155000
• European Community (EC) Number: 203-322-1
• NSC Number: 7932
• UNII: 2A8739M82Z
• DSSTox Substance ID: DTXSID5047613
• Nikkaji Number: J2.852E
• Wikidata: Q10869280
• Metabolomics Workbench ID: 4218
• Mol file: 105-68-0.mol

Synonyms:Isoamyl propionate;105-68-0;3-Methylbutyl propanoate;ISOAMYL PROPANOATE;Isopentyl propionate;3-Methylbutyl propionate;Isopentyl propanoate;Isopentyl alcohol, propionate;1-Butanol, 3-methyl-, propanoate;iso-Pentyl propionate;Propionic acid, isopentyl ester;3-Methyl-1-butyl propanoate;1-Butanol, 3-methyl-, 1-propanoate;FEMA No. 2082;NSC 7932;Isoamyl propionate (natural);iso-Amyl n-propionate;EINECS 203-322-1;BRN 1747359;Propionic Acid Isoamyl Ester;AI3-33594;UNII-2A8739M82Z;NSC-7932;2A8739M82Z;WE(4:0(3Me)/3:0);propanoato isoamilo;propionato de amilo;Propionate d'isoamyle;propionato de isoamilo;Propionic acid isoamyl;1-Butanol, propanoate;propanoato de isopentilo;3-metilbutilo propionato;3-propanoato metilbutilo;3-methyl butyl propanoate;alcohol isopentilo, propionato;propionic acid isopentyl ester;AMYL PROPIONATE [FCC];SCHEMBL126952;3-Methyl-1-butanol propanoate;3-metil-1-butanol, propanoato;DTXSID5047613;CHEBI:87419;FEMA 2082;NATURAL ISOAMYL PROPIONATE;ISOAMYL PROPIONATE [FHFI];NSC7932;1-butanol, 3-metil-, propanoato;1-butanol, 3-metil-1-propanoato;LMFA07010573;MFCD00048611;Propionic acid isopentyl ester (6CI);AKOS015907837;1-Butanol 3-methyl-propanoate (9CI);Isopentyl alcohol propionate (7CI8CI);LS-2362;Isoamyl propionate, >=98%, FCC, FG;FT-0627324;I0677;Isoamyl propionate, natural, >=98%, FCC, FG;Q10869280

Chemical Property of Isoamyl propionate

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 2.36mmHg at 25°C
• Melting Point: -73oC
• Refractive Index: n20/D 1.406(lit.)
• Boiling Point: 160.7 °C at 760 mmHg
• Flash Point: 47.8 °C
• PSA: 26.30000
• Density: 0.876 g/cm³
• LogP: 1.98570
• Storage Temp.: Flammables area
• Solubility.: Slightly soluble in water
• Water Solubility.: 194.505mg/L at 25℃
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

99% ^*data from raw suppliers

Isoamyl Propionate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16-27-36/37/39-24-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCCC(C)C
• Description: Isoamyl propionate has an apricot-pineapple odor. The taste is somewhat harsh when freshly distilled but subsequently yields apleasant apricot-plum bittersweet flavor. May be prepared by esterification of propionic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
• Uses: Perfumes, lacquers, flavors.

Technology Process of Isoamyl propionate

There total 9 articles about Isoamyl 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: 99.9%

i-Amyl alcohol (123-51-3) + propionic acid (802294-64-0,79-09-4) → isoamyl propionate (105-68-0)

Guidance literature:

With Candida antarctica lipase B; at 50 ℃; for 4h; Molecular sieve; Ionic liquid; Green chemistry; Enzymatic reaction;

DOI:10.1039/c2gc36081k

Reference yield:

→ butanoic acid methyl ester (623-42-7) + isoamyl propionate (105-68-0)

Guidance literature:

With 7percent NiO-13percentCo₂O₃/Li-Y; at 84 ℃; for 4h;

Reference yield:

→ acetic acid methyl ester (79-20-9) + isoamyl propionate (105-68-0)

Guidance literature:

With 7percent NiO-13percentCo₂O₃/Li-Y; at 84 ℃; for 4h;

upstream raw materials:

isoamyl benzoate

zinc(II) propionate

isopentyl ether

propionic acid

Downstream raw materials:

3-Methyl-1-butene

propiononitrile

propionic acid

Refernces

• 1、 -. "Method for synthesizing propionate through ester-ester exchange path". Paragraph 0030-0031. . Retrieved 2019/04/04.
• 2、 Lozano, Pedro,Bernal, Juana M.,Navarro, Alicia. "A clean enzymatic process for producing flavour esters by direct esterification in switchable ionic liquid/solid phases". . p. 3026 - 3033. Retrieved 2013/01/15.