2-Methylbutyl acetate

Base Information

• Chemical Name: 2-Methylbutyl acetate
• CAS No.: 624-41-9
• Deprecated CAS: 129829-14-7
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• Hs Code.: 29153900
• European Community (EC) Number: 210-843-8
• UNII: IY8732E0YC
• DSSTox Substance ID: DTXSID2027254
• Nikkaji Number: J95.657K
• Wikidata: Q72488968
• Metabolomics Workbench ID: 46393
• ChEMBL ID: CHEMBL3188103
• Mol file: 624-41-9.mol

Synonyms:2-METHYLBUTYL ACETATE;624-41-9;2-Methyl-1-butyl acetate;1-Butanol, 2-methyl-, acetate;Acetic acid 2-methylbutyl ester;2-methyl-1-butanol acetate;2-methyl butyl acetate;FEMA No. 3644;2-methylbutanol acetate;1-Butanol, 2-methyl-, 1-acetate;Active amyl acetate;2-Methybutyl acetate;2-Methylbutyl acetate (natural);EINECS 210-843-8;UNII-IY8732E0YC;IY8732E0YC;DTXSID2027254;CHEBI:50585;2-methylbutylacetat;starbld0000221;1-Methyl Butyl Acetate;Aceticacidmethylbutylester;acetato de 2-metilbutilo;Nat.d-2-Methylbutyl Acetate;2-metil-1-acetato de butilo;SCHEMBL309720;DTXCID207254;1-butanol, 2-metil-, acetato;CHEMBL3188103;FEMA 3644;XHIUFYZDQBSEMF-UHFFFAOYSA-;1-butanol, 2-metil-, 1-acetato;2-Methylbutyl acetate, 99%, FG;2-METHYLBUTYL ACETATE [FCC];Tox21_200883;MFCD00040494;2-METHYLBUTYL ACETATE [FHFI];AKOS015902767;(+/-)-2-METHYLBUTYL ACETATE;LS-2911;NCGC00248864-01;NCGC00258437-01;2-METHYLBUTYL ACETATE, (+/-)-;CAS-624-41-9;2-Methylbutyl acetate, analytical standard;2-Methylbutyl Acetate (Active Amyl Acetate);A1076;CS-0454341;FT-0628830;2-Methylbutyl acetate, natural, >=95%, FG;1-Butanol 2-methyl-acetate (6CI7CI8CI9CI);F87378;1-Butanol 2-methyl-acetate (6CI 7CI 8CI 9CI)

Chemical Property of 2-Methylbutyl acetate

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid.
• Vapor Pressure: 7.85mmHg at 25°C
• Melting Point: -74.65°C (estimate)
• Refractive Index: n20/D 1.401(lit.)
• Boiling Point: 135.1 °C at 760 mmHg
• Flash Point: 35 °C
• PSA: 26.30000
• Density: 0.879 g/cm³
• LogP: 1.59560
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 88.9

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): R10:; R66:
• Hazard Codes: R10:; R66:
• Statements: 10-66
• Safety Statements: 23-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCC(C)COC(=O)C
• Description: 2-Methylbutyl acetate has an apple peel and banana odor.

Technology Process of 2-Methylbutyl acetate

There total 15 articles about 2-Methylbutyl 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: 99.0%

(+/-)-2-methyl-1-butanol (137-32-6) + ethyl acetate (141-78-6) → 2-methylbutyl acetate (624-41-9)

Guidance literature:

sodium hydrogen sulfate; silica gel; for 1h; Heating;

Reference yield:

acetyl Coenzyme A + (+/-)-2-methyl-1-butanol (137-32-6) → 2-methylbutyl acetate (624-41-9)

Guidance literature:

With alcohol O-acyltransferase-1; at 30 ℃; Enzymatic reaction;

DOI:10.1038/nchembio.1476

Reference yield:

(+/-)-2-methyl-1-butanol (137-32-6) → 2-methylbutyl acetate (624-41-9)

Guidance literature:

With dmap;

upstream raw materials:

pyridine

(+/-)-2-methyl-1-butanol

acetyl chloride

1-chloro-2-methylbutane

Downstream raw materials:

2-methyl-but-2-ene

2-Methyl-1-butene

acetone

Zimtsaeure-(2-methylbutyl)-ester

Refernces

• 1、 Rodriguez, Gabriel M,Tashiro, Yohei,Atsumi, Shota. "Expanding ester biosynthesis in Escherichia coli". . p. 259 - 265. Retrieved 2014/04/03.
• 2、 Larkov, Olga,Zaks, Alon,Bar, Einat,Lewinsohn, Efraim,Dudai, Nativ,Mayer, Alfred M.,Ravid, Uzi. "Enantioselective monoterpene alcohol acetylation in Origanum, Mentha and Salvia species". experimental part. p. 2565 - 2571. Retrieved 2009/04/06.