sec-Butyl Crotonate

Base Information

• Chemical Name: sec-Butyl Crotonate
• CAS No.: 44917-51-3
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• European Community (EC) Number: 679-622-5
• DSSTox Substance ID: DTXSID701030320
• Nikkaji Number: J43.287C
• Mol file: 44917-51-3.mol

Synonyms:Crotonic Acid sec-Butyl Ester;10371-45-6;sec-Butyl Crotonate;sec-Butylcrotonate;Crotonic acid, sec-butyl ester;butan-2-yl (E)-but-2-enoate;44917-51-3;2-Butenoic acid, 1-methylpropyl ester, (E)-;2-Butenoic acid, 1-methylpropyl ester;CROTONICACIDSEC-BUTYLESTER;Sec-butyl (2E)-2-butenoate;2-butyl crotonate;sec-Butyl=crotonate;(E)-sec-butyl but-2-enoate;Sec-butyl (E)-but-2-enoate;SCHEMBL1881287;SEC-BUTYL BUT-2-ENOATE;Sec-butyl (2E)-2-butenoate #;DTXSID701030320;MFCD00059054;AKOS000280860;AKOS025293998;(E)-2-Butenoic acid 1-methylpropyl ester;(E)-but-2-enoic acid 1-methyl-propyl ester;CS-0339720

Chemical Property of sec-Butyl Crotonate

Chemical Property:

• Vapor Pressure: 1.788mmHg at 25°C
• Boiling Point: 166.4°Cat760mmHg
• Flash Point: 57.4°C
• Density: 0.899g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of sec-Butyl Crotonate

There total 1 articles about sec-Butyl Crotonate 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:

2-butenoic acid (3724-65-0) + iso-butanol (78-92-2,15892-23-6) → sec-butyl crotonate (44917-51-3)

Guidance literature:

With sulfuric acid; In toluene; at 110 ℃; for 8h; Heating;

DOI:10.1021/ac9502965

Reference yield:

sec-butyl crotonate (44917-51-3) + methylmagnesium bromide (75-16-1) → sec-butyl isovalerate (2051-38-9)

Guidance literature:

With copper(I) chloride;

Reference yield:

n-butyl magnesium bromide (693-03-8) + sec-butyl crotonate (44917-51-3) → 3-Methyl-heptansaeure-sec-butylester (16253-72-8)

Guidance literature:

With copper(I) chloride;

upstream raw materials:

2-butenoic acid

iso-butanol

Downstream raw materials:

3-Methyl-heptansaeure-sec-butylester

sec-butyl isovalerate

(+/-)-3-phenyl-butyric acid sec-butyl ester

Refernces