2-Butenoic acid, 1,3-dimethylbutyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 1,3-dimethylbutyl ester
• CAS No.: 35206-51-0
• Molecular Formula: C10H18O2
• Molecular Weight: 170.2487
• European Community (EC) Number: 252-438-9
• DSSTox Substance ID: DTXSID301243214
• Nikkaji Number: J289.934E
• Mol file: 35206-51-0.mol

Synonyms:35206-51-0;2-Butenoic acid, 1,3-dimethylbutyl ester;Methylisobutylcarbinyl crotonate;1,3-Dimethylbutyl 2-butenoate;4-methylpentan-2-yl (E)-but-2-enoate;EINECS 252-438-9;Frutinate;SCHEMBL273806;SCHEMBL273808;DTXSID301243214;1,3 - dimethylbutyl 2 - butenoate;2-Butenoic acid 1,3-dimethylbutyl ester;2-Butenoic acid,1,3-dimethylbutyl ester;2-Butenoic acid, 1,3-dimethylbutyl ester, (2E)-;2245852-26-8

Chemical Property of 2-Butenoic acid, 1,3-dimethylbutyl ester

Chemical Property:

• Appearance/Colour: colorless to pale yellow clear liquid
• Vapor Pressure: 0.261mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 204.6 °C at 760 mmHg
• Flash Point: 84.4 °C
• PSA: 26.30000
• Density: 0.889 g/cm³
• LogP: 2.54030
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

DAMASCIA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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