2-Methylpentyl acetate

Base Information

• Chemical Name: 2-Methylpentyl acetate
• CAS No.: 7789-99-3
• Deprecated CAS: 155749-23-8
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• Hs Code.: 2915390090
• European Community (EC) Number: 672-745-5
• DSSTox Substance ID: DTXSID6052532
• Nikkaji Number: J33.466I
• Mol file: 7789-99-3.mol

Synonyms:2-Methylpentyl acetate;7789-99-3;2-Methylamyl acetate;Acetic acid 2-methylpentyl ester;1-Pentanol, 2-methyl-, acetate;ACETICACID2-METHYLPENTYLESTER;Acetic acid, 2-methylamyl ester;2-Methylamylester kyseliny octove;BRN 1749805;2-Methylamylester kyseliny octove [Czech];ACETIC ACID, 2-METHYLPENTYL ESTER;1-Pentanol, 2-methyl-, 1-acetate;4-02-00-00160 (Beilstein Handbook Reference);2-Methylpentyl=acetate;2-methyl-1-pentyl acetate;SCHEMBL1985053;DTXSID6052532;MFCD00060103;A1079;FT-0739658

Chemical Property of 2-Methylpentyl acetate

Chemical Property:

• Melting Point: -80.9°C (estimate)
• Refractive Index: 1.4060-1.4090
• Boiling Point: 160 °C
• Flash Point: 46.7oC
• PSA: 26.30000
• Density: 0,87 g/cm3
• LogP: 1.98570
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 99.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylpentyl Acetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)COC(=O)C

Technology Process of 2-Methylpentyl acetate

There total 3 articles about 2-Methylpentyl 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:

vinyl acetate (108-05-4,9003-20-7) + 2-methylpentan-1-ol (105-30-6) → 2-methyl-1-pentanol acetate ester (7789-99-3) + (R)-2-methylpentan-1-ol (105-30-6,17092-42-1,17092-54-5,17092-41-0)

Guidance literature:

With Amano PS-D lipase; In dichloromethane; Overall yield = 27 percent; Overall yield = 0.6 g; Enzymatic reaction;

DOI:10.1002/anie.201911636

Reference yield:

ethene (74-85-1) + acetic acid (64-19-7,77671-22-8) → 2-methyl-1-pentanol acetate ester (7789-99-3)

Guidance literature:

With cobalt(II) acetate; at 250 - 275 ℃; under 532000 Torr; und Wasserstoff;

DOI:10.1021/ja01133a012

Reference yield:

2-methylpentan-1-ol (105-30-6) + acetic anhydride (108-24-7) → 2-methyl-1-pentanol acetate ester (7789-99-3)

Guidance literature:

at 110 ℃;

upstream raw materials:

2-methylpentan-1-ol

acetic anhydride

ethene

acetic acid

Refernces