3-Methyl-3-butenyl acetate

Base Information

• Chemical Name: 3-Methyl-3-butenyl acetate
• CAS No.: 5205-07-2
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• European Community (EC) Number: 225-996-6
• UNII: 962IG82H5B
• DSSTox Substance ID: DTXSID30863504
• Nikkaji Number: J297.937C
• Wikidata: Q27271850
• Metabolomics Workbench ID: 45481
• Mol file: 5205-07-2.mol

Synonyms:3-Methyl-3-butenyl acetate;3-methylbut-3-enyl acetate;5205-07-2;3-Buten-1-ol, 3-methyl-, acetate;isoprenyl acetate;3-Buten-1-ol, 3-methyl-, 1-acetate;3-methyl-3-buten-1-yl acetate;3-Methyl-3-buten-1-ol, acetate;Acetic acid, 3-methylbut-3-enyl ester;1-Acetoxy-3-methyl-3-butene;3-methylbut-3-en-1-yl acetate;962IG82H5B;5205-02-7;UNII-962IG82H5B;SCHEMBL1269971;FEMA NO. 3991;ISOPRENYL ACETATE [FHFI];DTXSID30863504;CHEBI:173495;3-Buten-1-ol,3-methyl-,acetate;3-Methyl-3-buten- 1-yl acetate;EINECS 225-996-6;AKOS024434217;3-METHYL-3-BUTEN-1-OL ACETATE;EC 225-996-6;Q27271850

Chemical Property of 3-Methyl-3-butenyl acetate

Chemical Property:

• Vapor Pressure: 4.46mmHg at 25°C
• Boiling Point: 147.3°Cat760mmHg
• Flash Point: 56.8°C
• PSA: 26.30000
• Density: 0.899g/cm³
• LogP: 1.51570
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CCOC(=O)C

Technology Process of 3-Methyl-3-butenyl acetate

There total 18 articles about 3-Methyl-3-butenyl 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: 97.3%

2-methyl-1-buten-4-ol (763-32-6) + acetic acid (64-19-7,77671-22-8) → 3-methyl-3-buten-1-yl acetate (5205-07-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 100 - 105 ℃; for 4h;

Reference yield: 96.7%

2-methyl-1-buten-4-ol (763-32-6) + acetic anhydride (108-24-7) → 3-methyl-3-buten-1-yl acetate (5205-07-2)

Guidance literature:

With magnesium(II) perchlorate; at 20 ℃; for 0.5h;

Reference yield: 42.0%

Bromo-acetic acid 3-methyl-but-3-enyl ester → 3-methyl-3-buten-1-yl acetate (5205-07-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 6h; Heating;

DOI:10.1021/ja00053a056

upstream raw materials:

1,3-dichloro-3-methylbutane

sodium acetate

3-methylbutane-1,3-diyl diacetate

formaldehyd

Downstream raw materials:

2-methyl-1-buten-4-ol

isoprene

Acetic acid 3-methyl-4-phenylsulfanyl-butyl ester

1-phenylsulfonyl-2-methyl-4-acetoxy-but-2-ene