Methyl 3-acetoxyoctanoate

Base Information

• Chemical Name: Methyl 3-acetoxyoctanoate
• CAS No.: 35234-21-0
• Molecular Formula: C11H20 O4
• Molecular Weight: 216.277
• Hs Code.: 2918990090
• European Community (EC) Number: 252-452-5
• UNII: 16KH805BNJ
• DSSTox Substance ID: DTXSID80865755
• Nikkaji Number: J289.943D
• Wikidata: Q27251824
• Mol file: 35234-21-0.mol

Synonyms:methyl 3-acetoxyoctanoate;35234-21-0;methyl 3-acetyloxyoctanoate;Methyl 3-(acetoxy)octanoate;UNII-16KH805BNJ;16KH805BNJ;EINECS 252-452-5;FEMA NO. 4454;SCHEMBL18339265;DTXSID80865755;METHYL 3-(ACETYLOXY)OCTANOATE;beta-acetoxy octanoic acid methyl ester;3-(Acetyloxy)octanoic acid methyl ester;(+/-)-METHYL 3-ACETOXYOCTANOATE;METHYL 3-ACETOXYOCTANOATE, (+/-)-;Octanoic acid, 3-(acetyloxy)-, methyl ester;Q27251824

Chemical Property of Methyl 3-acetoxyoctanoate

Chemical Property:

• Vapor Pressure: 0.111mmHg at 25°C
• Boiling Point: 220.8°Cat760mmHg
• Flash Point: 92.5°C
• PSA: 52.60000
• Density: 0.994g/cm³
• LogP: 2.06150
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 216.13615911
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

METHYL-3-ACETOXYOCTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC(=O)OC)OC(=O)C

Technology Process of Methyl 3-acetoxyoctanoate

There total 3 articles about Methyl 3-acetoxyoctanoate 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:

hexanal (66-25-1) → methyl 3-(acetoxy)octanoate (35234-21-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn / diethyl ether / 1 h / Heating

2: Py / 3 h / 100 °C

With pyridine; zinc; In diethyl ether;

DOI:10.1002/hlca.19710540715

Reference yield:

3-hydroxyoctanoic acid methyl ester (7367-87-5,85549-54-8) + acetic anhydride (108-24-7) → methyl 3-(acetoxy)octanoate (35234-21-0)

Guidance literature:

With pyridine; at 100 ℃; for 3h;

DOI:10.1002/hlca.19710540715

Reference yield:

→ methyl 3-(acetoxy)octanoate (35234-21-0)

Guidance literature:

entspr. Hydroxysaeure, 1. CH2N2, 2. AcCl (S.1074);

upstream raw materials:

3-hydroxyoctanoic acid methyl ester

acetic anhydride

hexanal

Refernces