3-Phenylpropyl acetate

Base Information

• Chemical Name: 3-Phenylpropyl acetate
• CAS No.: 122-72-5
• Deprecated CAS: 1335-15-5,143601-14-3,143601-14-3
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2915 39 00
• European Community (EC) Number: 204-569-8
• NSC Number: 404453
• UNII: AKW166708I
• DSSTox Substance ID: DTXSID2047648
• Nikkaji Number: J5.534D
• Wikidata: Q27155198
• Metabolomics Workbench ID: 46028
• Mol file: 122-72-5.mol

Synonyms:3-phenylpropyl acetate

Chemical Property of 3-Phenylpropyl acetate

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: -60 °C
• Refractive Index: n20/D 1.496(lit.)
• Boiling Point: 244 °C(lit.)
• Flash Point: >230°F
• PSA: 26.30000
• Density: 1.012g/mLat 25°C(lit.)
• LogP: 2.18230
• Storage Temp.: Store below +30°C.
• Solubility.: 0.69g/l
• Water Solubility.: 392.148mg/L at 25℃
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

99.9% ^*data from raw suppliers

3-Phenylpropyl Acetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCC1=CC=CC=C1

Technology Process of 3-Phenylpropyl acetate

There total 94 articles about 3-Phenylpropyl acetate 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: 99.0%

vinyl acetate (108-05-4,9003-20-7) + 3-Phenyl-1-propanol (122-97-4) → 3-phenylpropyl acetate (122-72-5)

Guidance literature:

With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes; at 50 ℃; for 4h; Green chemistry;

DOI:10.1039/c5ra10032a

Reference yield: 99.0%

3-Phenyl-1-propanol (122-97-4) + acetyl chloride (75-36-5) → 3-phenylpropyl acetate (122-72-5)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; for 2h;

DOI:10.1021/jo070814z

Reference yield: 98.0%

3-Phenyl-1-propanol (122-97-4) + acetic acid (64-19-7,77671-22-8) → 3-phenylpropyl acetate (122-72-5)

Guidance literature:

With K5; for 1h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

upstream raw materials:

(E)-3-phenylpropenal

acetic anhydride

3-Phenyl-1-propanol

acetyl chloride

Downstream raw materials:

1-acetoxy-3-(4-nitro-phenyl)-propane

3-phenylpropyl 3-hydroxy-6-methyl-5-oxoheptanoate

4’-(acetoxypropyl)acetophenone

4-(3-Hydroxy-propyl)-benzenesulfonamide

Refernces

• 1、 Hossain, Shahin,Jin, Myung-Jong,Park, Ji-Hoon,Yingjie, Qian,Yang, Da-Ae. "Oxidation and reduction of various substrates over a Pd(II) containing post-synthesis metal organic framework". . p. 122 - 125. Retrieved 2013.
• 2、 Davarpanah, Jamal,Kiasat, Ali Reza. "Nanomagnetic double-charged diazoniabicyclo[2.2.2]octane dichloride silica as a novel nanomagnetic phase-transfer catalyst for the aqueous synthesis of benzyl acetates and thiocyanates". . p. 98 - 103. Retrieved 2013.
• 3、 Fittig,Ruegheimer. "-". . p. 123. Retrieved 1874.
• 4、 Koszelewski, Dominik,Brodzka, Anna,Madej, Arleta,Trzepizur, Damian,Ostaszewski, Ryszard. "Evaluation of gem-Diacetates as Alternative Reagents for Enzymatic Regio-and Stereoselective Acylation of Alcohols". . p. 6331 - 6342. Retrieved 2021/05/06.
• 5、 Hu, Hao,Ota, Hajime,Baek, Heeyoel,Shinohara, Kenta,Mase, Toshiaki,Uozumi, Yasuhiro,Yamada, Yoichi M. A.. "Second-Generation meta-Phenolsulfonic Acid-Formaldehyde Resin as a Catalyst for Continuous-Flow Esterification". supporting information. p. 160 - 163. Retrieved 2020/01/02.