Cinnamic Acid Isopropyl Ester

Base Information

• Chemical Name: Cinnamic Acid Isopropyl Ester
• CAS No.: 7780-06-5
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Hs Code.: 29163990
• Wikidata: Q72485809
• Mol file: 7780-06-5.mol

Synonyms:Cinnamic Acid Isopropyl Ester;propan-2-yl 3-phenylprop-2-enoate;AKOS017265329;SB66426;C1779;FT-0623831;FT-0695807;D89457

Chemical Property of Cinnamic Acid Isopropyl Ester

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 39 °C
• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 269 °C at 760 mmHg
• Flash Point: 149.2 °C
• PSA: 26.30000
• Density: 1.035 g/cm³
• LogP: 2.65140
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl Cinnamate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)OC(=O)C=CC1=CC=CC=C1
• Description: Isopropyl cinnamate has a balsamic, sweet, dry amber-like odor and a fresh, fruity flavor. May be synthesized by esterification of isopropanol with cinnamic acid.
• Uses: Isopropyl cinnamate can be used as a perfuming agent in cosmetics and as a flavoring ingredient in food industries.

Technology Process of Cinnamic Acid Isopropyl Ester

There total 23 articles about Cinnamic Acid Isopropyl Ester 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: 98.0%

3-phenyl-propenal (104-55-2) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl cinnamate (7780-06-5)

Guidance literature:

With dihydrogen peroxide; at 20 ℃; for 20h;

DOI:10.1016/j.catcom.2014.09.022

Reference yield: 97.0%

Cinnamic acid (621-82-9) + isopropyl bromide (75-26-3) → isopropyl cinnamate (7780-06-5)

Guidance literature:

With triethylamine; at 60 ℃; for 1h; Inert atmosphere; Ionic liquid;

DOI:10.3906/kim-0904-39

Reference yield: 93.0%

Cinnamic acid (621-82-9) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl cinnamate (7780-06-5)

Guidance literature:

With tetrachlorosilane; for 7h; Heating;

DOI:10.1055/s-2003-42406

upstream raw materials:

carbon monoxide

2-phenylvinyl iodide

isopropyl alcohol

trimethylsilyl cinnamate

Downstream raw materials:

3,4-diphenyl-5-oxohexanoic acid

iso-propyl 3,4-diphenyl-5-oxohexanoate

3-bromo-5-phenyl-1H-pyrazole

3-bromo-1-methyl-5-phenyl-1H-pyrazole

Refernces

• 1、 Adachi, Shinya,Kumagai, Naoya,Shibasaki, Masakatsu. "Thieme Chemistry Journals Awardees - Where Are They Now? Bis(2-pyridyl)amides as Readily Cleavable Amides under Catalytic, Neutral, and Room-Temperature Conditions". supporting information. p. 301 - 305. Retrieved 2018/02/10.
• 2、 Pierens, Gregory K.,Venkatachalam, Taracad K.,Reutens, David C.. "Investigation of two- and three-bond carbon–hydrogen coupling constants in cinnamic acid based compounds". . p. 941 - 946. Retrieved 2016/11/16.