tert-Amyl acetate

Base Information

• Chemical Name: tert-Amyl acetate
• CAS No.: 625-16-1
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• Hs Code.: 2915390090
• European Community (EC) Number: 809-420-6
• UN Number: 1104
• DSSTox Substance ID: DTXSID80978091
• Nikkaji Number: J95.659G
• Wikidata: Q2823827
• Mol file: 625-16-1.mol

Synonyms:tert-Amyl acetate;625-16-1;2-methylbutan-2-yl acetate;T-PENTYL ACETATE;t-Pentylacetate;2-Butanol, 2-methyl-, acetate;tert-Pentyl Acetate;2-Methyl-2-butanol acetate;tert-Pentyl Alcohol, acetate;1,1-Dimethylpropyl acetate;t-amyl acetate;Amylacetate, tert;tert-Amyl=acetate;tert-Amyl ethanoate;AYA (CHRIS Code);1,1-Dimethylpropylacetat;SCHEMBL66105;acetic acid tert-pentyl ester;JCCIFDCPHCKATH-UHFFFAOYSA-;DTXSID80978091;CH3C(O)OC(CH3)2CH2CH3;AKOS006271856;Acetic acid, 1,1-dimethylpropyl ester;LS-46574;CS-0235745;FT-0632633;EN300-160596;Z1198150536

Chemical Property of tert-Amyl acetate

Chemical Property:

• Vapor Pressure: 14.5mmHg at 25°C
• Melting Point: -74.65°C (estimate)
• Refractive Index: 1.3995
• Boiling Point: 121.5°C at 760 mmHg
• Flash Point: 25.4°C
• PSA: 26.30000
• Density: 0.881g/cm³
• LogP: 1.73810
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 106
• Transport DOT Label: Flammable Liquid

Purity/Quality:

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

TERT-AMYL ACETATE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CCC(C)(C)OC(=O)C

Technology Process of tert-Amyl acetate

There total 7 articles about tert-Amyl 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: 25.0%

2-Methyl-1-butene (563-46-2) + acetic acid (64-19-7,77671-22-8) → tert-Amyl alcohol (75-85-4) + 2-fluoro-2-methylbutane (661-53-0) + tert-amyl acetate (625-16-1)

Guidance literature:

With hydrogenchloride; water; at 25 ℃; Kinetics;

DOI:10.1039/b108199n

Reference yield:

deuteroacetic acid (758-12-3) + C32H32N(1+)*BF4(1-) (90886-07-0) → 2-methyl-but-2-ene (513-35-9) + Neopentyl acetate (926-41-0) + 3-methylbutan-2-yl acetate (5343-96-4) + tert-amyl acetate (625-16-1)

Guidance literature:

at 150 ℃; Yield given. Yields of byproduct given;

DOI:10.1021/ja00331a030

Reference yield:

tetradeuterioacetic acid (1186-52-3) + C32H32N(1+)*BF4(1-) (90886-07-0) → 2-methyl-but-2-ene (513-35-9) + Neopentyl acetate (926-41-0) + 3-methylbutan-2-yl acetate (5343-96-4) + tert-amyl acetate (625-16-1)

Guidance literature:

at 150 ℃; Yield given. Yields of byproduct given;

DOI:10.1021/ja00331a030

upstream raw materials:

bis(tert-butylacetyl)peroxide

acetic acid

deuteroacetic acid

C₃₂H₃₂N⁽¹⁺⁾*BF₄^(1-)

Downstream raw materials:

2-methyl-but-2-ene

2-Methyl-1-butene

acetic acid

1-phenylethyl acetate

Refernces

• 1、 Wiberg, Kenneth B.,Kass, Steven R.. "Electrophilic Cleavage of Cyclopropanes. Acetolysis of Alkylcyclopropanes". . p. 988 - 995. Retrieved 2007/10/02.