Cinnamyl butyrate

Base Information

• Chemical Name: Cinnamyl butyrate
• CAS No.: 103-61-7
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• European Community (EC) Number: 203-128-7
• NSC Number: 30528
• UNII: TKZ9V37P1G
• DSSTox Substance ID: DTXSID901313849
• Nikkaji Number: J183.073B,J35.105I
• Wikidata: Q27290010
• Mol file: 103-61-7.mol

Synonyms:cinnamyl butyrate;cinnamyl isobutyrate

Chemical Property of Cinnamyl butyrate

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 0.000504mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 313.214 °C at 760 mmHg
• Flash Point: 131.855 °C
• PSA: 26.30000
• Density: 1.022 g/cm³
• LogP: 3.04310
• Water Solubility.: 22.29mg/L at 25℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Cinnamyl Butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCC=CC1=CC=CC=C1
• Isomeric SMILES: CCCC(=O)OC/C=C/C1=CC=CC=C1

Technology Process of Cinnamyl butyrate

There total 6 articles about Cinnamyl 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: 69.0%

butanoic acid methyl ester (623-42-7) + 3-Phenylpropenol (104-54-1) → cinnamyl butyrate (103-61-7)

Guidance literature:

With basic alumina; for 2h; Neat (no solvent); ball-milling;

DOI:10.1016/j.tetlet.2012.05.127

Reference yield: 59.0%

3-Phenylpropenol (104-54-1) + butyraldehyde (123-72-8) → cinnamyl butyrate (103-61-7)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; bromine; sodium hydrogencarbonate; In dichloromethane; water;

DOI:10.1016/0040-4039(90)80204-Y

Reference yield:

3-Phenylpropenol (104-54-1) + butyryl chloride (141-75-3) → cinnamyl butyrate (103-61-7)

Guidance literature:

In tetrahydrofuran; for 3h;

upstream raw materials:

3-Phenylpropenol

butyraldehyde

butanoic acid methyl ester

vinyl n-butyrate

Refernces

• 1、 -. "Cinnamyl alcohol fatty acid ester derivative and application and preparation method thereof". Paragraph 0042; 0043. . Retrieved 2019/05/08.
• 2、 Badgujar, Kirtikumar C.,Bhanage, Bhalchandra M.. "Solvent stability study with thermodynamic analysis and superior biocatalytic activity of Burkholderia cepacia lipase immobilized on biocompatible hybrid matrix of poly(vinyl alcohol) and hypromellose". . p. 14808 - 14819. Retrieved 2015/02/19.