3-Hexenyl phenylacetate, (3E)-

Base Information

• Chemical Name: 3-Hexenyl phenylacetate, (3E)-
• CAS No.: 42436-07-7
• Molecular Formula: C14H18O2
• Molecular Weight: 218.296
• Hs Code.: 2916399090
• European Community (EC) Number: 255-826-6
• UNII: 5798N50870
• Nikkaji Number: J76.347K
• Wikidata: Q27261485
• Mol file: 42436-07-7.mol

Synonyms:cis-3-Hexenyl phenylacetate;3-Hexenyl phenylacetate, trans-;3-Hexenyl phenylacetate, (3E)-;(3E)-3-Hexenyl phenylacetate;UNII-5798N50870;5798N50870;Acetic acid, phenyl-, 3-hexenyl ester;42436-07-7;1824720-88-8;(Z) - hex - 3 - enyl phenylacetate;SCHEMBL872941;SCHEMBL2639720;(3E)-3-Hexenyl phenylacetate #;FJKFIIYSBXHBCT-ONEGZZNKSA-N;Phenylacetic acid 3-hexenyl ester;AKOS015888359;Q27261485

Chemical Property of 3-Hexenyl phenylacetate, (3E)-

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.000634mmHg at 25°C
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 309.574 °C at 760 mmHg
• Flash Point: 119.522 °C
• PSA: 26.30000
• Density: 1 g/cm³
• LogP: 3.12860
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

cis-3-Hexen-1-yl Phenylacetate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCOC(=O)CC1=CC=CC=C1
• Isomeric SMILES: CC/C=C/CCOC(=O)CC1=CC=CC=C1
• Description: 3-Hexenyl phenylacetate has a mild and sweet, green-rose-mossy odor. May be synthesized from phenylacetyl chloride and cis- 3-hexenol with pyridine catalyst in an inert diluent.

Technology Process of 3-Hexenyl phenylacetate, (3E)-

There total 1 articles about 3-Hexenyl phenylacetate, (3E)- 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:

3-hexen-1-ol (544-12-7) + phenylacetyl chloride (103-80-0) → phenyl-acetic acid hex-3-enyl ester (42436-07-7)

Guidance literature:

With pyridine; benzene;

upstream raw materials:

3-hexen-1-ol

phenylacetyl chloride