Heptyl phenylacetate

Base Information

• Chemical Name: Heptyl phenylacetate
• CAS No.: 39736-25-9
• Molecular Formula: C15H22O2
• Molecular Weight: 234.338
• European Community (EC) Number: 254-609-3
• NSC Number: 406420
• UNII: F43QT54KTR
• DSSTox Substance ID: DTXSID1068198
• Nikkaji Number: J184.049E
• Wikidata: Q63409634
• Mol file: 39736-25-9.mol

Synonyms:Heptyl phenylacetate;heptyl 2-phenylacetate;39736-25-9;Benzeneacetic acid, heptyl ester;Heptylphenyl acetate;NSC 406420;HEPTYL PHENYL ACETATE;F43QT54KTR;Phenylacetic acid heptyl ester;EINECS 254-609-3;NSC-406420;AI3-19339;UNII-F43QT54KTR;N-HEPTYL PHENYLACETATE;SCHEMBL3504146;DTXSID1068198;NSC406420;ACETIC ACID, PHENYL-, HEPTYL ESTER;(S)-(-)-1-(4-Methoxy-phenyl)-ethylamine;Q63409634

Chemical Property of Heptyl phenylacetate

Chemical Property:

• Vapor Pressure: 0.000462mmHg at 25°C
• Boiling Point: 314.6°Cat760mmHg
• Flash Point: 109.8°C
• PSA: 26.30000
• Density: 0.971g/cm³
• LogP: 3.74270
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

HEPTYL PHENYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC(=O)CC1=CC=CC=C1

Technology Process of Heptyl phenylacetate

There total 3 articles about Heptyl phenylacetate 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:

phenylacetic acid (103-82-2) + n-heptan1ol (111-70-6) → phenyl-acetic acid heptyl ester (39736-25-9)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF02881524

Reference yield:

n-heptan1ol (111-70-6) + phenylacetonitrile (140-29-4) → phenyl-acetic acid heptyl ester (39736-25-9)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1021/jo01102a616

Reference yield:

n-heptan1ol (111-70-6) + phenylacetyl chloride (103-80-0) → phenyl-acetic acid heptyl ester (39736-25-9)

Guidance literature:

With pyridine;

upstream raw materials:

phenylacetic acid

n-heptan1ol

phenylacetonitrile

phenylacetyl chloride

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