Isobutyl 2-butenoate

Base Information

• Chemical Name: Isobutyl 2-butenoate
• CAS No.: 589-66-2
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.198
• Hs Code.: 2916190090
• European Community (EC) Number: 209-658-5,687-874-2
• UNII: 6H6IW50K3Z
• DSSTox Substance ID: DTXSID2047690
• Nikkaji Number: J188.461A,J94.999J
• Wikidata: Q18464456
• Mol file: 589-66-2.mol

Synonyms:Isobutyl 2-butenoate;Isobutyl crotonate;Crotonic Acid Isobutyl Ester;73545-15-0;589-66-2;Isobutyl trans-2-butenoate;2-methylpropyl (E)-but-2-enoate;Isobutyl but-2-enoate;(E)-isobutyl but-2-enoate;UNII-6H6IW50K3Z;6H6IW50K3Z;2-Butenoic acid, 2-methylpropyl ester, (E)-;2-Butenoic acid, 2-methylpropyl ester, (2E)-;2-BUTENOIC ACID, 2-METHYLPROPYL ESTER;(E)-2-Butenoic acid isobutyl ester;Crotonic acid, isobutyl ester, (trans)-;FEMA No. 3432;DTXSID7047691;crotonicacidisobutylester;ISOBUTYL-2-BUTENOATE;SCHEMBL182261;SCHEMBL182262;2-Butenoic acid isobutyl ester;2-Butenoic Acid Isobuyl Ester;TRANS-ISOBUTYL CROTONATE;DTXCID5027691;DTXSID2047690;XDOWKOALJBOBBL-SNAWJCMRSA-;XDOWKOALJBOBBL-SNAWJCMRSA-N;ISOBUTYL-2-BUTENOATE [FCC];2-Methylpropyl (2E)-but-2-enoate;ISOBUTYL 2-BUTENOATE [FHFI];Tox21_303966;MFCD00036651;AKOS015915512;NCGC00357274-01;CAS-589-66-2;Isobutyl trans-2-butenoate, >=98%, FCC, FG;Q18464456;InChI=1/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+

Chemical Property of Isobutyl 2-butenoate

Chemical Property:

• Vapor Pressure: 1.79mmHg at 25°C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 166.4 °C at 760 mmHg
• Flash Point: 55 °C
• PSA: 26.30000
• Density: 0.89g/cm³
• LogP: 1.76170
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

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

Isobutyl Crotonate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)OCC(C)C
• Isomeric SMILES: C/C=C/C(=O)OCC(C)C
• Description: Isobutyl 2-butenoate has a fruity flavor. It may be prepared by heating the corresponding acid and alcohol with sulfuric acid.
• Uses: Food additive.