Allyl 2-ethylbutyrate

Base Information

• Chemical Name: Allyl 2-ethylbutyrate
• CAS No.: 7493-69-8
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• Hs Code.: 2915900090
• European Community (EC) Number: 231-332-6
• NSC Number: 32637
• UNII: T7177XGV3Q
• DSSTox Substance ID: DTXSID50864078
• Nikkaji Number: J307.835C
• Wikidata: Q27289750
• Metabolomics Workbench ID: 47267
• Mol file: 7493-69-8.mol

Synonyms:ALLYL 2-ETHYLBUTYRATE;7493-69-8;2-Propenyl 2-ethylbutanoate;prop-2-enyl 2-ethylbutanoate;Allyl 2-ethyl butyrate;Butanoic acid, 2-ethyl-, 2-propenyl ester;2-Propenyl 2-ethylbutyrate;Butyric acid, 2-ethyl-, allyl ester (8CI);Butyric acid, 2-ethyl-, allyl ester;FEMA No. 2029;Allyl 2-ethylbutanoate;prop-2-en-1-yl 2-ethylbutanoate;Butanoic acid, 2-ethyl-, 2-propen-1-yl ester;UNII-T7177XGV3Q;Butyric acid, 2-ethyl-, 2-propenyl ester;T7177XGV3Q;EINECS 231-332-6;NSC 32637;NSC-32637;AI3-24767;Allyl 2-ethylbutanoate #;SCHEMBL873314;ALLYL-2-ETHYL BUTYRATE;2-Ethylbutanoic acid allyl ester;Allyl 2-ethylbutyrate, >=98%;DTXSID50864078;CHEBI:171749;NSC32637;LMFA07010741;MFCD00036523;ALLYL 2-ETHYLBUTYRATE [FHFI];FT-0694818;Q27289750

Chemical Property of Allyl 2-ethylbutyrate

Chemical Property:

• Vapor Pressure: 0.641mmHg at 25°C
• Refractive Index: n20/D 1.422(lit.)
• Boiling Point: 187.1 °C at 760 mmHg
• Flash Point: 67.3 °C
• PSA: 26.30000
• Density: 0.887 g/cm³
• LogP: 2.15180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

98%,99%, ^*data from raw suppliers

Allyl 2-ethylbutyrate ≥98% ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)OCC=C
• Description: Allyl-2-ethylbutyrate has an oily fruity odor.. Used as a flavor enhancer, flavoring agent or adjuvant.

Technology Process of Allyl 2-ethylbutyrate

There total 1 articles about Allyl 2-ethylbutyrate 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:

allyl bromide (106-95-6) → allyl 2-ethylbutyrate (7493-69-8)

Guidance literature:

With xylene;

DOI:10.1021/ja01264a043

Reference yield: 94.0%

allyl 2-ethylbutyrate (7493-69-8) + thiophenol (108-98-5) → [3-(phenylthio)propyl]-2-ethylbutyrate

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In neat (no solvent); at 20 ℃; for 3h; regioselective reaction; Green chemistry;

DOI:10.1002/adsc.201500720

Reference yield:

diethyl ether (60-29-7,927820-24-4) + allyl 2-ethylbutyrate (7493-69-8) + phenylmagnesium bromide → allylbenzene (300-57-2,57807-91-7) + 2-Ethylbutanoic acid (88-09-5) + 2-ethyl-1,1-diphenylbutanol (126328-30-1)

Guidance literature:

DOI:10.1021/ja01264a043

upstream raw materials:

allyl bromide

Downstream raw materials:

allylbenzene

2-Ethylbutanoic acid

2-ethyl-1,1-diphenylbutanol

2-ethyl-1,1-diphenylbut-1-ene