3-Methyl-2-pentenyl acetate

Base Information

• Chemical Name: 3-Methyl-2-pentenyl acetate
• CAS No.: 925-72-4
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• Hs Code.: 2915390090
• European Community (EC) Number: 253-336-7
• DSSTox Substance ID: DTXSID701280161
• Nikkaji Number: J298.488A,J260.732H
• Mol file: 925-72-4.mol

Synonyms:3-Methyl-2-pentenyl acetate;925-72-4;3-Methylpent-2-en-1-yl acetate;EINECS 253-336-7;2-Penten-1-ol, 3-methyl-, acetate;2-Penten-1-ol, 3-methyl-, 1-acetate;37078-06-1;SCHEMBL11790747;3-Methyl-2-penten-1-ol acetate;DTXSID701280161;EINECS 213-122-6;2-Penten-1-ol, 4-methyl-, acetate;Acetic acid (E)-3-methyl-2-pentenyl ester;2-Penten-1-ol, 3-methyl-, acetate, (E)-

Chemical Property of 3-Methyl-2-pentenyl acetate

Chemical Property:

• Boiling Point: 173.2°Cat760mmHg
• Flash Point: 66.7°C
• PSA: 26.30000
• Density: 0.902g/cm³
• LogP: 1.90580
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CCOC(=O)C)C
• Isomeric SMILES: CC/C(=C/COC(=O)C)/C

Technology Process of 3-Methyl-2-pentenyl acetate

There total 3 articles about 3-Methyl-2-pentenyl 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:

meparfynol (77-75-8) → acetic acid-(3-methyl-pent-2-enyl ester) (925-72-4)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/barium sulfate; hexane / Hydrogenation

With Pd-BaSO₄; hexane;

DOI:10.1021/ja01146a085

Reference yield:

3-hydroxy-3-methyl-1-pentene (918-85-4) + acetic acid (64-19-7,77671-22-8) → acetic acid-(3-methyl-pent-2-enyl ester) (925-72-4)

Guidance literature:

With phosphoric acid;

DOI:10.1021/ja01146a085

Reference yield:

3-hydroxy-3-methyl-1-pentene (918-85-4) + acetic anhydride (108-24-7) → acetic acid-(3-methyl-pent-2-enyl ester) (925-72-4)

Guidance literature:

DOI:10.1021/ja01146a085

upstream raw materials:

3-hydroxy-3-methyl-1-pentene

acetic anhydride

acetic acid

meparfynol