PIPERONYL ACETATE

Base Information

• Chemical Name: PIPERONYL ACETATE
• CAS No.: 326-61-4
• Molecular Formula: C10H10 O4
• Molecular Weight: 194.187
• Hs Code.: 2915390090
• European Community (EC) Number: 206-312-5
• NSC Number: 406725
• UNII: 090XZ4C7VN
• DSSTox Substance ID: DTXSID2025925
• Nikkaji Number: J33.464B
• Wikidata: Q27236436
• Metabolomics Workbench ID: 45653
• ChEMBL ID: CHEMBL1366925
• Mol file: 326-61-4.mol

Synonyms:1,3-Benzodioxole-5-methanol,acetate (9CI); Piperonyl alcohol, acetate (6CI,7CI,8CI);3,4-Methylenedioxybenzyl acetate; Heliotropyl acetate; NSC 406725; Piperonylacetate

Chemical Property of PIPERONYL ACETATE

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 0.00526mmHg at 25°C
• Melting Point: 51°C
• Refractive Index: n20/D 1.5265(lit.)
• Boiling Point: 274.9°Cat760mmHg
• Flash Point: 113 ºC
• PSA: 44.76000
• Density: 1.227
• LogP: 1.47840
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

99.9% ^*data from raw suppliers

1,3-Benzodioxol-5-ylmethylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC2=C(C=C1)OCO2
• Uses: Piperonyl Acetate is a synthetic flavoring agent that is a stable, col- orless to light yellow liquid of heliotrope odor. it should be stored in glass or resin-lined containers. it is used in flavors for berry notes with applications in beverages, candy, ice cream, and baked goods at 50–90 ppm.

Technology Process of PIPERONYL ACETATE

There total 12 articles about PIPERONYL 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: 100.0%

piperonol (495-76-1) + acetyl chloride (75-36-5) → piperonyl acetate (326-61-4)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1002/chem.201002546

Reference yield: 99.0%

vinyl acetate (108-05-4,9003-20-7) + piperonol (495-76-1) → piperonyl acetate (326-61-4)

Guidance literature:

With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes; at 50 ℃; for 4.5h; Green chemistry;

DOI:10.1039/c5ra10032a

Reference yield: 93.0%

piperonal (120-57-0,30024-74-9) + acetic anhydride (108-24-7) → piperonyl acetate (326-61-4)

Guidance literature:

With aluminum oxide; zinc; In dichloromethane; at 20 ℃; for 14h;

upstream raw materials:

piperonol

acetic anhydride

1-(N,N-dimethylaminomethyl)-3,4-(methylenedioxy)benzene

ethyl acetate

Downstream raw materials:

methyl-N-(benzyl-methyl)-formamide

N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine

piperonal

5-(chloromethyl)-1,3-benzodioxole

Refernces

• 1、 Yang, Lei,Chen, Xuan,Ni, Kaidong,Li, Yuansheng,Wu, Jianhong,Chen, Weilin,Ji, Yin,Feng, Lili,Li, Fei,Chen, Dongyin. "Proton-exchanged montmorillonite-mediated reactions of hetero-benzyl acetates: Application to the synthesis of Zafirlukast". supporting information. . Retrieved 2020/06/28.
• 2、 Badgujar, Kirtikumar Chandulal,Sasaki, Takehiko,Bhanage, Bhalchandra Mahadeo. "Synthesis of lipase nano-bio-conjugates as an efficient biocatalyst: Characterization and activity-stability studies with potential biocatalytic applications". . p. 55238 - 55251. Retrieved 2015/07/07.